Requests for reprints can be made at email@example.com
163. Joseph B, Gomatam A, Shaikh MS, Khedkar VM, Martis EAF and Coutinho EC. EigenValue ANalySis (EVANS): an in silico tool to address pharmacodynamics, pharmacokinetics and toxicity issues: 1. Proof of concept studies performed on pharmacodynamic datasets. International Journal of Quantitative Structure-Property Relationships (Accepted 2019)
162. Elvis A F Martis and Evans C Coutinho. Free Energy-Based Methods to Understand Drug Resistance Mutations in Structural Bioinformatics: Applications in Preclinical Drug Discovery Process ( C. G. Mohan ed.) Springer Nature, Volume 27, 1-24 (2019).
161. Mahesh R. Borkar, Santosh Nandan, Jisha Padma, Dipankar Chatterji, Evans C. Coutinho. 4-Hydroxy-2-pyridone derivatives and the δ-pyrone isostere as novel agents against Mycobacterium smegmatis biofilm inhibitors. Med Chem, 15, 28-37 (2019).
160. Juilee A Kulkarni, Amelia M Avachat, Charul M Avachat, Rohan Pradhan, Tushar S Suryawanshi, Ejazuddin M Khan, Elvis AF Martis, Evans C Coutinho, Subhash Padhye.Preferential Formulation of Second Generation Antipsychotic Asenapine as Inclusion Complex with Sulphobutylether-βCD (Captisol): In vitro and In vivo Evaluation. Curr drug delivery 5, 520 (2018).
159. M, Yogesha, Rao, Venkatramanan, Martis, Elvis, Coutinho, Evans, Gohlke, Holger, Santhosh, C, Dongre, Prabhakar, D’Souza, Jacinta. Structural features of FAP174, a MYCBP-1 orthologue from Chlamydomonas reinhardtii, revealed by computational and experimental analyses. RSC Adv 7, 51391 (2017).
158. Elvis A. F. Martis, Blessy Joseph, Satya P. Gupta, Evans C. Coutinho, Ismail Hdoufane, Imane Bjij, and Driss Cherqaoui. Flexibility of important HIV-1 targets and in silico design of anti-HIV 1 drugs.. Curr Chem Biol 12, 23-30 (2018).
157.Ravindra D. Wavhale, Elvis A. F. Martis, Premlata K. Ambre, Baojie Wan, Scott G Franzblau, Krishna R. Iyer, Kavita Raikuvar, Katarzyna Macegoniuk, Łukasz Berlicki, Santosh R. Nandan, Evans C. Coutinho. Discovery of new leads against Mycobacterium tuberculosis using Scaffold Hopping and Shape based Similarity. Bioorg Med Chem. 25, 4835 (2017).
156. J S Paneysar, S Barton, S Chandra, P Ambre and E Coutinho. Novel thermoresponsive assemblies of co-grafted natural and synthetic polymers for water purification. Water Sci Technol 75, 1084 (2017).
155. Javed Shaikh, Rohan Pradhan, Prasad R Dandawate, Dharmalingam Subramaniam, Sivapriya Ponnurangam, Elvis A. F. Martis, Nisharani Ranpise, Evans C Coutinho, E. M. Khan, Subhash Padhye and Shrikant Anant. Spectral and Molecular Modeling Studies on the Influence of β-Cyclodextrin and Its Derivatives on Albendazole and Its Anti-Proliferative Activity Against Pancreatic Cancer Cells. J. Pharm. Sci & Pharmacol. 3, 1(2017).
154. Sohal Satish, Jayashree Puttur, Evans Coutinho, Premlata Ambre, Santosh R Nandan. Recent Advances in Treatment of Malaria. Biomed Res J 3, 216 (2016).
153. Wangikar P, Martis EAF, Ambre PK, Nandan S and Coutinho EC. Update on Methyltransferase Inhibitors of the Dengue Virus and Further Scope in the Field. J. Emerging Infect. Diseases 1, 1000108 (2016).
152. Anand Chintakrindi, Elvis Martis, Devanshi Gohil, Sweta Kothari, Abhay Chowdhary, Evans Coutinho and Meena Kanyalkar. A Computational Model for Docking of Noncompetitive Neuraminidase Inhibitors and Probing their Binding Interactions with Neuraminidase of Influenza Virus H5N1. Current Computer-Aided Drug Design 12, 272-281 (2016).
151. Dinesh M. Bramhane, Preethi A. Kulkarni, Elvis A. F. Martis, Raghuvir R. S. Pissurlenkar, Evans C. Coutinho, Mangal S. Nagarsenker. Characterization of pioglitazone cyclodextrin complexes: Molecular modeling to in vivo evaluation. J Pharm Bioall Sci 8, 161-169 (2016).
150. Shamlan M. S. Reshamwala, Chandrasekhar Mamidipally, Raghuvir R. S. Pissurlenkar, Evans C. Coutinho, Santosh B. Noronha. Evaluation of use of risedronate as an antibiofilm agent. J. Med. Micro 65, 9 (2016).
149. Poonam Advani, Blessy Joseph, Premlata Ambre, Raghuvir Pissurlenkar, Vijay Khedkar, Krishna Iyer, Satish Gabhe, Radhakrishnan P Iyer, and Evans Coutinho. In silico optimization of pharmacokinetic properties and receptor binding affinity simultaneously: a ‘parallel progression approach to drug design’ applied to β-blockers. J Biomol Str Dyn 34, 384 (2016).
148. Maheshkumar R Borkar, Raghuvir R S Pissurlenkar and Evans C Coutinho. Mapping activity elements of protegrin antimicrobial peptides by HomoSAR. RSC Adv 5, 78790 (2015).
147. Deep Bhattarcharya, Nitin Mishra, Evans C Coutinho, Sudha Srivastava, Raghuvir RS Pissurlenkar and Mushtaque Shaikh. Conformational Study on Pheromonotropin neuropeptide using NMR and Molecular Dynamics. Pharmaceutica Anal Acta 6, 15 (2015).
146. Jain RR, Aher N, Mehta MR, Sutariya B, Sadrani B, Ugarkar A, Pissurlenkar R, Coutinho E, Menon MD. Macrophage-Targeted Mannosylated Liposome based DPI of Rifampicin: Development and Evaluation. RDD Europe 2015 Vol. 2, 255-260 (2015).
144. Kuntebomanahalli Thimmiah, Apoorva G Ugarkar, Elvis F Martis, Mushtaque S Shaikh, Evans C Coutinho and Mayur C Yergeri. Drug-DNA Interaction studies of acridone Based Derivatives. Nucleosides, Nucleotides and Nucleic Acids 34, 309 (2015).
143. Premlata K. Ambre, Ravindra D. Wavhale, Evans C. Coutinho. New horizons in antimalarial drug discovery in the last decade by chemoinformatic approaches. Combi Chem High Throughput Screening 18, 129 (2015).
142. Rohit R. Joshi, Avinash Barchha, Vijay M. Khedkar, Raghuvir R. S. Pissurlenkar, Sampa Sarkar, Dhiman Sarkar, Rohini R. Joshi, Ramesh A. Joshi, Anamik K. Shah and Evans C. Coutinho. TargetingDormant Tuberculosis Bacilli: Results for molecules with a novel Pyrimidone Scaffold. Chem. Biol. Drug Design 85, 201 (2015).
141. Elvis A. F. Martis, Rakesh C. Chandarana, Mushtaque S. Shaikh, Premlata K. Ambre, Santosh R. Nandan, Jacinta S. D’Souza, Krishna R. Iyer, Evans C. Coutinho and Raghuvir R. S. Pissurlenkar. Quantifying Ligand-Receptor Interactions for Gorge Spanning Acetylcholinesterase Inhibitors for the Treatment of Alzheimer’s disease. J. Biomol. Str. Dyn. 33, 1107 (2015).
140. Vijay Khedkar, Jose Joseph, Raghuvir Pissurlenker, Anil Saran and Evans Coutinho. How good are ensembles at improving QSAR? A case for eCoRIA. J. Biomol. Str. Dyn. 33, 749 (2015).
139. Vijay M Khedkar, Nikhilesh Arya, Evans C Coutinho, Chamanlal J Shishoo and Kishor S Jain. Docking study of novel antihyperlipaemic thieno[2,3-d]pyrimidine; LM-1554, with some molecular targets related to hyperlipidemia – an investigation into its mechanism of action. SpringerPlus 3, 628 (2014).
138. Apoorva G. Ugarkar, Premlata K. Ambre, Evans C. Coutinho and Raghuvir R. S. Pissurlenkar. Extracting Structural requirements for activity of GPR119 agonists: An Hologram Quantitative Structure Activity Relationship (HQSAR) study. Can. J Chem. 92, 670 (2014).
137. Kishor S Jain, Vijay M Khedkar, Nikhilesh Arya, Prasad V Rane, Pratip K Chaskar, Evans C Coutinho. Design, synthesis & evaluation of condensed 2H-4-arylaminopyrimidines as novel antifungal agents. Eur J Med Chem. 77, 166 (2014).
136. Shaikh M. S., Rana J., Gaikwad D., Leartsakulpanich U., Ambre P. K., Pissurlenkar R. R. S., Coutinho E. C. Antifolate agents against wild and mutant strains of Plasmodium falciparum. Ind. J. Pharm. Sci. 76, 114 (2014).
135. Radadiya A, Khedkar V, Bavishi A, Vala H, Thakrar S, Bhavsar D, Shah A, Coutinho E. Synthesis and 3D-QSAR study of 1,4-Dihydropyridine Derivatives as MDR Cancer Reverters.Eur. J. Med. Chem. 74, 375 (2014).
134. Chadha R, Bala M, Arora P, Jain D V S, Pissurlenkar R R S, Coutinho E C. Valsartan inclusion by methyl-β-cyclodextrin: Thermodynamics, Molecular modeling, Tween 80 effect & Evaluation Carbo Pol. 103, 300 (2014).
133. Premlata K Ambre, Raghuvir R. S. Pissurlenkar, Ravindra D. Wavhale, Mushtaque S. Shaikh, Vijay M. Khedkar, Baojie Wan, Scott G. Franzblau and Evans C. Coutinho. Design, synthesis and evaluation of 4-(substituted)phenyl-2-thioxo-3,4-dihydro-1H-chromino[4,3-d]pyrimidin-5-one and 4-(substituted)phenyl-3,4-dihydro-1H-chromino[4,3-d]pyrimidine-2,5-dione analogs as antitubercular agents. Med. Chem. Res. 23, 2564 (2014).
132. Rakesh Chandrana, Anil Saran, Evans Coutinho and Jacinta D’Souza. Over-expression, purification and isotopic labeling of a tag-less human glucose dependent insulinotropic polypeptide (hGIP). 3Biotech 4, 501 (2014).
131. Richa Bhatia, Jitender Madan, Raghuvir Pissurlenkar, Evans Coutinho. Telmisartan complex augments solubility, dissolution and drug delivery in prostate cancer cells. Carbo Pol. 101, 614 (2014).
130. N Arya, J Dwivedi, V M Khedkar, E C Coutinho and K S Jain. Design, Synthesis and Biological Evaluation of Some 2-Azetidinone Derivatives as Potential Antihyperlipidemic Agents. Archiv der Pharmazie 346, 872 (2013).
129. T. Shirole, E. Martis, D. Makhija, R. Pissurlenkar, E. Coutinho, A.G. Jagtap. 4-Methylesculetin a dual acting inhibitor of acetylcholinesterase and xanthine oxidase. Clinical Therapeutics, 35 (11), e100-e101, November 2013.
128. Mahesh R Borkar, Raghuvir R. S. Pissurlenkar and Evans C Coutinho. HomoSAR: Bridging Comparative Protein Modeling with Quantitative Structural Activity Relationship to design new peptides. J. Comput Chem. 34, 2635 (2013).
127. Nikhilesh Arya, Jaya Dwivedi, Vijay M Khedkar, Evans C Coutinho, and Kishor S Jain. Design, Synthesis & Biological Evaluation of some 2-Azetidinone Derivatives as Potential Antihyperlipedemic Agents. Arch. Pharm. Chem. Life Sci. 346, 1 (2013).
126. Atul Manvar, Vijay Khedkar, Jignesh Patel, Vipul Vora, Narsinh Dodia, Gautam Patel, Evans Coutinho, Anamik Shah. Synthesis and binary QSAR study of antitubercular quinolylhydrazides. Bioorg Med Chem Lett 23, 4896(2013).
125. R C Khunt, Vijay Khedkar, Evans Coutinho. Synthesis and 3D-QSAR analysis of 2-chloroquinoline derivatives as H37RV MTB inhibitors. Chem. Biol. Drug Design 82, 669 (2013).
124. Ramanuj P Samal, Vijay M Khedkar, Raghuvir R S Pissurlenkar, Angela Gono Bwalya, Deniz Tasdemir, Ramesh Joshi, P. R. Rajamohanan, Evans C Coutinho. Design, synthesis, structural characterization by IR, 1H, 13C, 15N, 2D-NMR, X-ray diffraction and evaluation of a new class of Phenylaminoacetic acid benzylidene hydrazines as pfENR inhibitors. Chemical Biology & Drug Design 81, 715 (2013).
123. Sachin L. Badole, Pranita P. Bagul, Sagar P. Mahamuni, Rekha D. Khose, Anuja C. Joshi, Arvindkumar E. Ghule, Subhash L. Bodhankar, Chandrashekhar G. Raut, Farid Menaa, Vijay M. Khedkar, Evans C Coutinho, Nilesh K Wagh. Cycloart-23-ene-3β, 25-diol isolated from Pongamia pinnata (L. Pierre) stimulates GLP-1 (7-36) amide secretion in streptozotocin – nicotinamide induced diabetic Sprague Dawley rats: a mechanistic approach Eur. J Pharmacol. 698, 470 (2013).
122. Renu Chadha, Sushma Gupta, Raghuvir R S Pisurlenkar and Evans Coutinho. Characterization, thermodynamic parameters, molecular modeling and in vivo studies of inclusion complexes of pyrimethamine with native β-cyclodextrin and its derivative. Int. J Pharm. Pharmaceutical Sci. 4, 102 (2012).
121. Ambre P K, Pissurlenkar R R S, Iyer R P and Coutinho E C. Identification of new Checkpoint Kinase-1 (Chk1) Inhibitors by Docking, 3D-QSAR and Pharmacophore Modeling methods. Can. J. Chem. 90, 675 (2012).
120. Verma J, Malde A, Khedkar S and Coutinho E. Comparative Occupancy Analysis (CoOAn) – A Straightforward and Directly Applicable 3D-QSAR Formalism to Extract Molecular Features Obligatory for Designing Potent Leads. Molecular Informatics 31, 431 (2012).
119. Khunt R C, Khedkar V M, Chawda R S, Chauhan N A, Parikh A R, Coutinho E C. Synthesis, antitubercular evaluation and 3D-QSAR study of N-phenyl-3-(4-fluorophenyl)-4-substituted pyrazole derivatives.Bio-org Med. Chem. Lett. 22, 666 (2012).
118. Ambre P K, Pissurlenkar R R S, Jagyasi A S, Fule R A, Khedkar V M, Barhate C R, Vivas L, Tripathi A K, Sullivan D, Birkinshaw R, Brady R L, Iyer K R and Coutinho E C. Molecular Modeling Studies, Synthesis and Biological evaluation of Novel Plasmodium falciparum Lactate Dehydrogenase (pfLDH) Inhibitors. Anti-Infect. Agents 10, 55 (2012).
117. Pissurlenkar R R S, Dhir A, Kessar S V, Kulkarni S K, Coutinho E. C. An activity model for novel antidepressants that interact with the Serotonin Transporter Protein (SERT). Cent. Nerv. Syst. Agents – Med. Chem. 11, 228 (2011).
116. Chadha R, Gupta S, Shukla G, Jain D V S, Pissurlenkar R R S, Coutinho E. C. Characterization, thermodynamic parameters, molecular modeling and in vivo studies of inclusion complexes of pyrimethamine with native β-cyclodextrins and its derivatives. J. Pharm. Pharmacol. 2, 212 (2011).
115. Jain A S, Date A A, Pissurlenkar R R S, Coutinho E C, Nagarsenker M S. Sulfobutylether-β-cyclodextrin (SBEBCD)-carbamazepine Complex: Preparation, Characterization, Molecular Modeling and Evaluation of In Vivo Antiepileptic Activity. AAPS PharmSciTech 12, 1163 (2011).
114. Renu Chadha, Sushma Gupta, Geeta Shukla, D.V.S. Jain, Raghuvir R S Pissurlenkar and Evans C Coutinho. Interaction of artesunate with β-cyclodextrin: Characterization, thermodynamic parameters, molecular modeling, effect of PEG on complexation and antimalarial activity. Results in Pharma Sci. 1, 38 (2011).
113. Renu Chadha, Sushma Gupta, Natasha Pathak, Geeta Shukla, D.V.S. Jain, Raghuvir R S Pissurlenkar and Evans C Coutinho. Binary and Ternary Complexes of Arteether with beta-CD- Characterisation, Molecular modeling and in Vivo studies. Pharmacol &Pharm 2, 212 (2011).
112. Anand S. Chintakrindi, Mushtaque S. Shaikh, and Evans C. Coutinho. De novo design of 7-aminocoumarin derivatives as novel Falcipain-3 inhibitors. J. Mol Model. 18, 1481 (2012).
111. Raghuvir Pissurlenkar, Vijay Khedkar, Radhakrishnan Iyer and Evans Coutinho. Ensemble QSAR (eQSAR): A QSAR method based on conformational ensembles and metric descriptors. J. Comput Chem. 32, 2204 (2011).
110. Sudha Srivastava and Evans Coutinho. Adrenergic Antagonist Propranolol As A Novel, Effective Spermicide: An NMR Study. Intl. J. Curr. Pharm. Res. 2, 196 (2010).
109. Pawar, B.; Kanyalkar, M. A. Joshi, M. Pissurlenkar, R. R. S. Coutinho E. C. and Srivastava S. Probing molecular level interaction of antifungal drugs with model membranes by molecular modeling multinuclear NMR and DSC methods. Intl. J. Curr. Pharm. Res. 2, 47 (2010).
108. Tikhele S H, Pissurlenkar R R S, Srivastava S, Saran A, Coutinho E C. Mapping interactions of gastric inhibitory polypeptide (GIP) with GIPR – N terminus using NMR and Molecular Dynamics Simulation. J. Pept. Sci. 16, 383 (2010).
107. Vijay Virsodia, Mushtaque Shaikh, Atul Manvar, Bhavik Desai, Alpesh Perecha, Rajesh Loriya, Kinnari Dholariya, Gautam Patel, Vipul Vora, Kuldip Upadhyay, Karia Denish, Anamik Shah and Evans Coutinho. Screening for in vitro Antimycobacterial Activity and Three Dimensional Quantitative Structure Activity Relationship (3D-QSAR) Study of 4-(arylamino)coumarin Derivatives. Chem Biol Drug Des 76, 412 (2010).
106. Zubair M A, Radhakrishnan P Iyer, Krishnamachari G Akamanchi, Mariam S Degani, and Evans C Coutinho. Synthesis of Bispyrrole Tetra Esters and Alcohols as Novel Mimetics of the Anticancer Mitomycin. J. Heterocyclic Chem. 48, 38 (2011).
105. Verma Jitender, Khedkar Vijay M., Evans Coutinho. 3D-QSAR in Drug Design – A Review .Curr Top Med Chem 10, 95 (2010).
104. Vijay M. Khedkar, Premlata K. Ambre, Jitender Verma, Mushtaque S. Shaikh, Raghuvir R. S. Pissurlenkar and Evans C. Coutinho. Molecular docking and 3D-QSAR studies of HIV-1 protease inhibitors. J. Mol Model 16, 1251 (2010).
103. Kumar Desai, Mushtaque Shaikh and Evans Coutinho. Molecular Modeling studies, synthesis and biological evaluation of derivatives of N-phenylbenzamide as Plasmodium falciparum dihydroorotate inhibitors. Med. Chem. Res. 20, 321 (2011).
102. Manvar A T, Pissurlenkar R R S, Virsodia V R, Upadhyay K D, Manvar D R, Mishra A K, Acharya H D, Parecha A R, Dholakia C D, Shah A K and Coutinho E. C. Synthesis, in vitro anti-tubercular activity and 3D-QSAR study of 1,4-dihydropyridines. Molecular Diversity 14, 285 (2010).
101. Verma Jitender, Malde Alpeshkumar, Khedkar Santosh, Iyer Radhakrishnan, Coutinho Evans. Local Indices for Similarity Analysis (LISA) – a 3D-QSAR formalism based on local molecular similarity. J. Chem. Inf. Model. 49, 2695 (2009).
100. Charlotte D’Souza, Meena Kanyalkar, Mamata Joshi, Evans Coutinho& Sudha Srivastava. Search for novel neuraminidase inhibitors: Design, synthesis and interaction of oseltamivir derivatives with model membrane using docking, NMR and DSC methods. Biochim. Biophys. Acta 1788, 1740 (2009).
99. Morde V. A., Shaikh M. S., Pissurlenkar R. R. S. and Coutinho E. C.Molecular Modeling Studies, Synthesis and Biological evaluation of Plasmodium falciparum Enoyl-Acyl Carrier Protein Reductase (FabI) inhibitors. Mol Divers 13, 501 (2009).
98. Raghuvir R.S. Pissurlenkar, Mushtaque S. Shaikh, Radhakrishnan P. Iyerand Evans C. Coutinho. Molecular Mechanics Force Fields and their Applications in Drug Design. Anti-Infective Agents – Medicinal Chemistry 8, 128 (2009).
97. Jalaj Tripathi, Prashant Desai, Sudha Srivastava and Evans Coutinho. Conformational studies of nonapeptide using NMR. Indian J. Chem. 48B, 103 (2009).
96.Charlotte D’Souza, Meena Kanyalkar, Mamata Joshi, Evans Coutinho and Sudha Srivastava. Probing molecular level interaction of oseltamivir with H5N1-NA and model membranes by molecular docking, multinuclear NMR and DSC methods. BBA – Biomembranes 1788, 484 (2009).
95. Amit Nayyar, Sanjay R Patel, Mushtaque Shaikh, Evans Coutinho and Rahul Jain. Synthesis, Anti-tuberculosis Activity and 3D-QSAR Study of Amino Acid Conjugates of 4-(adamantan-1-yl) Group Containing Quinolines. Eur. J. Med. Chem. 44, 2017 (2009).
94. Devendra K. Dhaked, Jitender Verma, Anil Saran and Evans C. Coutinho. Exploring the binding of HIV-1 Integrase inhibitors by Comparative Residue Interaction Analysis (CoRIA).J. Mol. Model. 15, 233 (2009).
93. Vijay Virsodia, Atul Manvar, Kuldip Upadhyay, Rajesh Loriya, Denish Karia, Manu Jaggi, Anu Singh, Rama Mukherjee, Mushtaque S. Shaikh, Evans C. Coutinho, Anamik Shah. Synthesis of 1-(2,6-
92. Raghuvir Pissurlenkar, and Evans Coutinho. HomoSAR: An integrated approach using Homology Modeling and Quantitative Structure Activity Relationship for activity prediction of peptides. Scholarly Exchange Research, Vol. 2008, article id 360572, 2008
91. George Suji, Santosh A Khedkar, Sreelekha K Singh, Nand Kishore, Evans C Coutinho, Vikrant M Bhor and S. Sivakami. Binding of Lipoic Acid Induces Conformational Change and Appearance of a New Binding Site in Methylglyoxal Modified Serum Albumin. Protein J 27, 205 (2008).
90. Jitender Verma, Vijay Khedkar, Santosh Khedkar, Alpeshkumar Malde, Arati Prabhu and Evans Coutinho. A Comprehensive Analysis of the Thermodynamic Events involved in Ligand-Receptor Binding using CoRIA and its variants. J. Comput Aided Mol. Des. 22, 91 (2008).
89.Atul Manvar, Alpeshkumar Malde, Jitender Verma, Arun Mishra, Kuldip Upadhyay, Vijay Virsodia, Hrishikesh Acharya, Evans Coutinho and Anamik Shah. Synthesis, Anti-tubercular Activity and 3D-QSAR Study of Coumarin-4-acetic acid benzylidenehydrazides. Eur. J. Med. Chem. 43, 2395 (2008).
88. Shubhangi S Bhosale, Mushtaque S Shaikh, Evans C Coutinho and Anil Saran. Application of Molecular Electrostatic Potentials in Drug Design. Proc. Indian Natn Sci Acad 73, 91 (2007).
87. Vijay Virsodia, Raghuvir R. S. Pissurlenkar, Dinesh Manvar, Chitan Dholakia, Priti Adlakha, Anamik Shah and Evans C. Coutinho. Synthesis, screening for antitubercular activity and 3D-QSAR studies of substituted N-phenyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxamide. Eur. J. Med. Chem. 43, 2103 (2008).
86. Raghuvir Pissurlenker, Mushtaque Ahmed and Evans Coutinho. 3D-QSAR Studies of Dipeptidyl Peptidase-IV inhibitors using a Docking based Alignment.J. Mol. Model. 13, 1047 (2007).
85. Santosh A. Khedkar, Alpeshkumar K. Malde and Evans C. Coutinho. CoMFA Study of Distamycin Analogs Binding to the Minor-groove of DNA: A Unified Model for Broad-spectrum Activity. J. Mol. Model. 13, 1099 (2007).
84. Santosh A. Khedkar, Alpeshkumar K. Malde, and Evans C. Coutinho. Inhibition of Methionine S–adenosyltransferase of M. smegmatis and M. tuberculosis: Homology Modeling, Docking and De Novo Inhibitor Design. Internet Electron. J. Mol. Design. 6, 151 (2007)
83. Sunil P. Upadhyay, Raghuvir R. S. Pissurlenkar, Evans C. Coutinho, Anil V. Karnik. A Furo-fused BINOL based Crown as Fluorescent Chiral Sensor for Enantioselective Recognition of Phenyl ethylamine and Ethyl ester of Valine. J. Org. Chem. 72, 5709 (2007).
82. Khedkar Santosh; Malde Alpeshkumar and Coutinho Evans. Design of Inhibitors against MurF Enzyme of S. pneumoniae using Docking, 3D-QSAR and De Novo Design. J. Chem. Inf. Model. 47, 1839 (2007).
81. Alpeshkumar Malde, Evans Coutinho and Sudha Srivastava. Understanding Interactions of Gastric Inhibitory Polypeptide (GIP) with its G-Protein Coupled Receptor through NMR and Molecular Modeling. J. Pept. Sci. 13, 287 (2007).
80. Alpeshkumar Malde, Santosh Khedkar and Evans Coutinho. The B(OH)-NH Analog is a Surrogate for the Amide Bond (CO-NH) in Peptides: An Ab Initio Study. J. Chem. Theory Comput. 3, 619 (2007).
79 Alpeshkumar Malde, Santosh Khedkar and Evans Coutinho. Isosteres of Peptides – Boron analogs as Dipolar forms of α-amino acids: A Theoretical Study. J. Phy. Org. Chem. 20, 151 (2007) .
78. Amit Nayyar, Vikramdeep Monga, Alpeshkumar Malde, Evans Coutinho, and Rahul Jain. Synthesis, anti-tuberculosis Activity, and 3D-QSAR Study of 4-
77. Santosh A. Khedkar, Alpeshkumar K. Malde, Evans C. Coutinho and Sudha Srivastava. Pharmacophore Modeling in Drug Discovery and Development: An Overview. Medicinal Chemistry 3, 187 (2007).
76. Alpeshkumar Malde, Santosh Khedkar and Evans Coutinho. Stationary points on the PES of N-methoxy Peptides and their Boron Isosteres: An Ab Initio Study. J. Chem. Theory Comput. 2, 1664(2006).
75. S. A. Khedkar, A. K. Malde and E. C. Coutinho. In Silico Screening of Ligand Databases: Methods and Applications. Indian J. Pharm. Sci. 68, 689 (2006).
74. Amit Nayyar, Alpeshkumar Malde, Evans Coutinho, and Rahul Jain. Synthesis, anti-tuberculosis activity, and 3D-QSAR study of ring-substituted-2/4-quinolinecarbaldehyde derivatives. Bio-org. Med. Chem. 14, 7302 (2006).
73. S.S. Lavhekar, A. A. Lohade, E.C. Coutinho and K.R. Iyer. Estimation of Microsomal CYP1A2 Activity by High Performance Liquid Chromatography. Indian J. Pharm. Sci. 68, 258 (2006).
72. Prasanna Datar, Santosh Khedkar, Alpesh Malde and Evans Coutinho. Comparative Residue Interaction Analysis (CoRIA): A 3D-QSAR Approach to Explore the Binding Contributions of Active Site Residues with Ligands. J. Comput Aided Mol. Des. 20 343 (2006).
71. Raghuvir Pissurlenker, Alpesh Malde, Santosh Khedkar and Evans Coutinho. Encoding Type and Position in Peptide QSAR: Application to peptides binding to Class I MHC Molecule HLA-A*0201. QSAR & Combi.Sci. 26, 189 (2007).
70. Lavhekar S S, Lohade A A, Coutinho E C and Iyer K R.Estimation of microsomal CYP2E1 activity by high performance liquid chromatography.Adv. Pharmacol. Toxicol. 7, 1 (2006).
69. Prashant Desai, Sudha Srivastava, Girjesh Govil and Evans Coutinho. Mechanism of Action of L-arginine on the Vitality of Spermatozoa Is Primarily Through Increased Biosynthesis of Nitric Oxide. Biol. Reprod. 74, 954 (2006).
68. Alpeshkumar Malde, Santosh Khedkar and Evans Coutinho. The omega, phi and psi space of N-hydroxy-N-methylacetamide and N-acetyl-N’-hydroxy-N’-methylamide of alanine and their boron isosteres J. Chem. Theory Comput. 2, 312 (2006).
67. Ganesh S. Jadhav, Ashok R. Patel, Pradeep R. Vavia, Alpeshkumar K. Malde and Evans C. Coutinho. Interaction Of Valdecoxib With Beta Cyclodextrin: Experimental And Molecular Modeling Studies. J. Inclusion Phenomena Macrocyclic Chem. 56, 261 (2006).
66. Amit Nayyar, Alpeshkumar Malde, Rahul Jain and Evans Coutinho. 3D-QSAR Study of Ring-Substituted Quinoline Class of Anti-Tuberculosis Agents. Bio-org. Med. Chem. 14, 847 (2006).
65. Santosh Khedkhar, Alpeshkumar Malde and Evans Coutinho. Topology of Human MethionineS-Adenosyltransferase Indian J. Chem. 45A, 138 (2006).
64.Arati Prabhu, Evans Coutinho and Sudha Srivastava. The Amino-terminal domain of STAT1: Overexpression, purification and characterization. J. Biosci. 30, 611 (2005).
63. Santosh A Khedkar, Alpeshkumar K Malde and Evans C Coutinho. Modeling Human Neurokinin-1 Receptor Structure Using the Crystal Structure of Bovine Rhodopsin. Internet Electron. J. Mol. Des. 4, 329 (2005).
62. Arati Prabhu, Alpeshkumar Malde, Evans Coutinho and Sudha Srivastava. Solution conformation of Substance P antagonists – [D-Arg1, D-Trp7,9, Leu11]-SP, [D-Arg1, D-Pro2,D-Trp7,9, Leu11]-SP and [D-Pro2, D-Trp7,9]-SP by CD, NMR and MD simulations.. Peptides 26, 875(2005).
61. Santosh Khedkar, AlpeshKumar Malde and Evans Coutinho. Comparative Protein Modeling of Methionine S-Adenosyl transferase (MAT) Enzyme from M. tuberculosis: A Potential Target for Antituberculosis Drug Discovery. J. Mol. Graphics Model. 23, 355 (2005).
60.Errol Mathias, Arati Prabhu, Evans Coutinho, Sudha Srivastava and Uma Halkar. The solution structure of a cyclic analog of neuropeptide Y with high Y1 receptor affinity by NMR and MD simulations. Int. J. Pept. Res. Therapeut. 11, 143 (2005).
59. Alpesh Malde, Santosh Khedkar, Evans Coutinho and Anil Saran. Geometry, Transition States and Vibrational Spectra of Boron isostere of N-methylacetamide by ab initio calculation. Int. J. Quant. Chem. 102, 734 (2005).
58. Meena Kanyalkar and Evans Coutinho. Selectivity of Rofecoxib to COX-2 as revealed by Docking Studies. Asian Chem. Lett. 8, 241 (2004).
57. Prasanna A. Datar and Evans C. Coutinho. A CoMFA study of COX-2 Inhibitors with Receptor based Alignment. J. Mol. Graphics Model. 23, 239 (2004).
56. Meena Kanyalkar, Evans Coutinho and Anil Saran. Docking Strategies in Drug Design and it Applications to HIV-1 Tat Protein Inhibitors. Natl. Acad. Sci. Lett. 27, 303 (2004).
55. Errol V Mathias, Savita Tauro, Evans C Coutinho and Uma P Halkar. Conformation of Roxatidine Acetate Hydrochloride by 1H, 13C and 15N NMR and AM1 Calculations and Its Interaction with Model Membranes Studied by 31P NMR. Lett. Drug Design & Discovery 1, 387 (2004).
54. Prasanna Datar and Evans Coutinho. The φ, ψ space of boron isosteres of amino acids: An abinitio study. J. Theo. Comput. Chem. 3, 189 (2004).
53. P. A. Datar, E. C. Coutinho and Sudha Srivastava. Comparative study of 3D-QSAR techniques on Angiotensin II receptor (AT1) antagonists. Lett. Drug Design & Discovery 1, 115 (2004).
52. Savita Tauro, Evans Coutinho and Sudha Srivastava. Conformation of the Cecropin-Melittin Hybrid, CecropinA(1-8)-Melittin (1-18) Antibacterial Peptide. Prot. Pept. Letters 11, 115 (2004).
51. Prasanna Datar, Prashant Desai and Evans Coutinho. A 3D-QSAR of Angiotensin II (AT1) Receptor Antagonists based on Receptor Surface Analysis. J. Chem. Inf. Comput. Sci., 44, 210 (2004).
50. Prasanna Datar, Sudha Srivastava, Evans Coutinho and Girjesh Govil. Substance P: Structure, Function and Therapeutics. Cur. Topics Med. Chem. 4, 75 (2004).
49. Meena Kanyalkar, Sudha Srivastava, Anil Saran and Evans Coutinho. Conformational study of fragments of envelope proteins (gp120:254-274 and gp41:591-541) of HIV-1 by NMR and MD simulations. J. Pept. Sci 10, 363 (2004).
48. Savita Tauro, Evans Coutinho and Sudha Srivastava. An Antiparallel β-Sheet and a β-Turn Characterize the Structure of Antiviral HIV-1 Peptide T40 as Revealed by 2D-NMR and MD Simulations. Prot. Pept. Letters 10, 346 (2003).
47. Madhukar S Chande, Ajit Godbole, Evans Coutinho and Prashant Desai. Synthesis and structural studies of novel 1,3,4-oxadiazolophanes. Indian J. Chem. 42B, 397 (2003).
46. Errol V Mathias, Uma P Halkar and Evans C Coutinho. Structure of roxatidine acetate hydrochloride by 1H, 13C and 15N NMR spectroscopy ARKIVOC xv, 102 (2003).
45. Prasanna Datar, Prashant Desai, Evans Coutinho and Krishna Iyer. CoMFA and CoMSIA Studies of Angiotensin (AT1) receptor antagonists. J. Mol. Model. 8, 290 (2002).
44. P. Desai, E. Coutinho, S. Srivastava, W. Haq and S. B. Katti. Conformation of an Immunoreactive Undecapeptide Fragment (10-20) of Asp f 1 by NMR and Molecular Modeling.Lett. Pept. Sci. 9, 21 (2002).
43. Ilhan Demirhan, Meena Kanyalkar, Angelika Chandra, Hans Wilhelm Doerr, Evans Coutinho, Johannes Loewer, Anil Saran and Prakash Chandra. Docking Studies reveal a selective binding of D-Penicillamine to the transactivator Protein of Human Immunodeficiency Virus Type 1. FEBS Lett. 516, 43 (2002).
42. P. Desai, M. Prachand, E. Coutinho, A. Saran, J. Bodi and H. Süli-Vargha. Activity and conformation of a cyclic heptapeptide possessing the message sequence His-Phe-Arg-Trp of α-Melanotropin. Int. J. Biol. Macromolecules 30, 187 (2002).
41. Savita Tauro, Evans Coutinho and Sudha Srivastava. Conformation of the peptide antibiotic – histatin 8 in aqueous and non-aqueous media. Lett.Pept Sci. 8, 295 (2002).
40. Prashant Desai, Evans Coutinho and Sudha Srivastava. Conformational diversity of T-kinin in DMSO, water and HFA. Eur. J. Med. Chem. 37, 135 (2002).
39. S. Tauro, E. Coutinho and S. Srivastava. A rare occurrence of β-turn in Amyloid βA4 peptide. Magn. Reson. Chem. 40, 211 (2002).
38. Prashant Desai and Evans Coutinho. NMR: More than a Tool for Structure Elucidation Asian Chem. Lett. 5, 69 (2001).
37. Prashant Desai and Evans Coutinho. QSAR in Drug Discovery and Development. Asian Chem. Lett. 5, 77 (2001).
36. Meena Kanyalkar, Sudha Srivastava, and Evans Coutinho. Conformation of N-Terminal HIV-1 Tat (fragment 1-9) Peptide by NMR and MD simulations. J. Pept. Sci 7, 579 (2001).
35. Meena Kanyalkar, Sudha Srivastava, and Evans Coutinho. Conformation of a model peptide of the tandem repeat decapeptide in mussel adhesive protein by NMR and MD Simulations. Biomaterials 23, 389 (2001).
34. Prashant V Desai and Evans C Coutinho. Effect of Stereochemistry (Z and E) and Position of α,β-dehydrophenylalanine (∆Phe) on β-turn stability. J. Mol. Model. 6, 595 (2000).
33. Meena Kanyalkar and Evans Coutinho. Effect of the 5-substitutent on the Tetrazole-Azide Isomerization in Tetrazolo[1.5-a]pyridines by Ab Initio Calculations. Tetrahedron 56, 8775 (2000).
32. S. Srivastava, G. Govil, P. Desai and E. Coutinho. Protective effect of L-arginine against lipid peroxidation in goat epididymal spermatozoa. Physiol. Chem. Phys. Med. NMR 32, 127 (2002).
31. Savita Tauro and Evans Coutinho. Azo, Hydrazone and Other Tautomers of the Azo Dye 7-amino-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-2-naphthalenesulfonic Acid. THEOCHEM 532, 23 (2000).
30. Prashant Desai and Evans Coutinho. Geometries and energies of the ground and transition states of tautomers of the azo dye 5-amino-4-hydroxy-3-[(2-sulfophenyl)azo]-2,7-naphthalenedisulfonic acid by the PM3 method. THEOCHEM 528, 29 (2000).
29. Prashant Desai, Evans Coutinho, Sudha Srivastava and Anil Saran. Structure of the Epitope – Fragment 579 to 601 – in the GP41 Transmembrane domain of HIV-1. Indian J. Chem. 39A, 274 (2000).
28. Shantaram Kamath, Evans Coutinho and Prashant Desai. Calculation of Relative Binding Free Energy Difference of DHFR Inhibitors by a Finite Difference Thermodynamic Integration (FDTI) Approach. J. Biomol. Str. Dyn. 16, 1239 (1999).
27. Shantaram Kamath and Evans Coutinho. Influence of nature of side chain on conformation of alternating L- and D-stereo oligopeptides. Proc. Indian Acad. Sci. (Chem. Sci.) 111, 581 (1999).
26. Anant Patel, Sudha Srivastava, Evans Coutinho and Ratna Phadke. Replacement of Phe8In Substance P by Tyr (Tyr8-SP) alters the conformation of the peptide in DMSO, water and lipid bilayers. Biopolymers 50, 602 (1999).
25. E. Coutinho, S. Srivastava, S.Kamath and R. s. Phadke. Conformation of loperamide and its interaction with model membranes as studied by MD simulations and NMR spectroscopy. Phys. Med. 15, 63 (1999).
24. Evans Coutinho, Shantaram Kamath, Anil Saran and Sudha Srivastava. NMR and Molecular Dynamics Studies of Tachykinins: Conformation of Substance P Fragment 4-11. J. Biomol. Str. Dyn. 16, 747 (1998).
23. Shantaram Kamath and Evans Coutinho. Structure and Dynamics of t-Boc-[D-aIle-L-Ile]3-OMe and t-Boc-[L-Ile]6-OMe as investigated by molecular dynamics simulations. Asian Chem. Lett. 2, 47 (1998).
22. R.P. Ohja, Anil Saran, Shantaram Kamath and Evans Coutinho. An Investigation of Peptide-T and its D-Ala Analog by NMR and Molecular Dynamics Simulations. Indian. J. Biochem. Biophys. 35, 133 (1998).
21. Anil Saran, Sudha Srivastava, Evans Coutinho and Shantaram Kamath. A Comparison of the Conformation of an Eledoisin related peptide and the C-terminal pentatpeptide of Substance P by NMR and MD simulations. Physiol. Chem. Phys. Med. NMR 30, 63 (1998)
20. M. S. Prachand, M. M. Dhingra, A. Saran, Evans Coutinho, J. Bodi, H. Suli-Vargha and K. Medzihardszky. Comparative Conformational Studies on Cyclic Hexapeptides corresponding to message sequence His-Phe-Arg-Trp of a-MSH by NMR. J. Pept. Res. 51, 251 (1998).
19. Anant Patel, Sudha. Srivastava, R.S. Phadke, Evans Coutinho and Shantaram Kamath. Conformation of Renin Substrate (Angiotensinogen) in water is different from DMSO. Magn. Reson. Chem. 36, 185 (1998).
18. Anil Saran, Sudha Srivastava, Evans Coutinho and Shantaram Kamath. NMR and Molecular Dynamics Studies of Tachykinins.Conformation of the C-Terminal Pentapeptide of Substance P (SP7-11). Indian J. Biochem. Biophys. 34, 435 (1997).
17. S. Kamath and Evans Coutinho. Conformation of the C-terminal pentapeptide – the ‘message sequence’ of tachykinins as determined by Consensus Dynamics. J. Biosci. 22, 315 (1997).
16. S. Srivastava, R.S. Phadke, S. Kamath and E. Coutinho. Addition of Tyr to the N-terminal of bradykinin preserves its overall conformation. Eur. J. Med. Chem. 32, 669 (1997).
15. Shantaram Kamath and Evans Coutinho. The Pharmacophores of dual acting α,β-blockers as deduced from Molecular Dynamics Simulations. J. Biosci. 21, 599 (1996).
14. Shantaram Kamath and Evans Coutinho. Molecular Mechanics Calculations of Opioid Ligands of the 4-Arylpiperidine Class. Indian J. Biochem. Biophys. 33, 391 (1996).
13. Anil Saran, Sudha Srivastava, Evans Coutinho, Patrick Wong and H Eibl. Conformation of Hexadecylphosphocholine: An anticancer drug by Molecular Dynamics and NMR methods. J. Mol. Str. 382, 23 (1996).
12. S. Srivastava, R.S. Phadke, Evans Coutinho and S.A. Kamath. Is a gamma-bend in Angiotensinogen a recognition element for cleavage by the enzyme renin? Magn.Reson.Chem. 34, 651 (1996).
11. Evans Coutinho and Sudha Srivastava. Molecular Dynamics and Nuclear Magnetic Resonance Investigations of Labetalol and its interaction with macromolecules. Quart. Magn. Reson. Biol. Med. 2, 263 (1995).
10. Anil Saran, Sudha Srivastava and Evans Coutinho. Conformation of t-boc-β-Ala-Trp-Met-Asp-Phe-NH2 (Pentagastrin) by NMR and PCILO methods. Proc. Indian Acad. Sci (Chem. Sci) 106, 1515 (1995).
9. Anil Saran, S. Srivastava, Evans Coutinho and M. Maiti. 1H NMR Investigation of the interaction of Berberine and Sanguinarine with DNA. Indian J. Biochem.Biophys 32, 74 (1995).
8. Shantaram Kamath and Evans Coutinho. Conformation of dual acting α,β-blockers by Molecular Mechanics Calculations. Indian J. Chem. 34B, 553 (1995).
7. Anil Saran and Evans Coutinho. Quantum Mechanical Calculations on Dopamine D2-receptor antagonists: Conformation of Remoxipride, Eticlopride and NCQ 115. Proc. Indian Acad. Sci. (Chem. Sci.) 106, 149 (1994).
6. Anil Saran, S. Srivastava and Evans Coutinho. Conformation and macromolecular Interaction of ACE Inhibitors: Enalapril and Lisinopril by NMR. Eur. J. Pharm. Sci. 1, 181 (1994).
5. A. Saran, S. Srivastava, V. M. Kulkarni and Evans Coutinho. Conformational Studies on Timolol: A β-Blocker by PCILO and NMR Methods. J. Mol. Str. (THEOCHEM) 279, 281 (1993).
4. V. M. Kulkarni and Evans Coutinho. Conformation of Enalapril by a Molecular Orbital Method. Indian J. Chem. 31B, 483 (1992).
3. A. Saran, S. Srivastava, V. M. Kulkarni and Evans Coutinho. Conformational Studies on Cimetidine and Ranitidine by PCILO Calculations and NMR Spectroscopy. Indian J. Biochem.Biophys. 29, 54 (1992).
2. V. M. Kulkarni and Evans Coutinho. Conformational Analysis of Atenolol and Metoprolol by 1H NMR. Indian J. Chem. 30B, 52 (1991).
1. R. P. Iyer, R. K. Ratnam, S. P. Kulkarni, M. A. Zubair, Evans Coutinho, M. S. Sonaseth and B. Gopalan. 13C NMR Study of the Structure of Open-Chain Bis-Reissert Analogs and their Salts. Magn.Reson.Chem. 25, 757 (1987).
2. D Sarkar, S Sarkar, R R Joshi, V M Khedkar, R R Pissurlenkar, E C Coutinho, A K Shah. 6-Methyl-4-Phenyl-5-(Phenyl or cycloalkyl)carbamoyl-1,2,3,4-
1. Dhiman Sarkar, Sampa Sarkar, Rohit R Joshi, Vijay M Khedkar, Raghuvir R Pissurlenkar, Evans C Coutinho and Anamik K Shah. Antitubercular Agents. IN Application No. 1244DEL2010