1. Desai, S.R.; Vidya G Desai, V.G.; Pissurlenkar, R.R. Design, Synthesis and molecular docking studies of new Azomethine derivatives as promising anti-inflammatory agents. Bioorg. Chem. 2022 120, 105595. DOI: 10.1016/j.bioorg.2021.105595.

  2. Maliwal, D.; Pissurlenkar, R.R.; Telvekar. Identification of Novel Potential Anti-Diabetic Candidates targeting Human Pancreatic ɑ-Amylase and Human ɑ-Glycosidase: An Exhaustive Structure-based Screening. Can. J. Chem. 2022. DOI: 10.1139/cjc-2021-0238.

  3. Shabbir, S.; Muslim, M.; Muthu, S. A.; Pissurlenkar, R. R. S.; Fatima, S.; Ali, A.; Ahmad, A.; Ahmad, M.; Ahmad, B. (2020) The cocrystal of 3-((4-(3-isocyanobenzyl) piperazine-1-yl) methyl) benzonitrile with 5-hydroxy isophthalic acid prevents protofibril formation of serum albumin, J. Biomol. Struc. Dyn 2022 40, 538-548. DOI: 10.1080/07391102.2020.1815585


  1. Gawandi, S.J.; Desai, V.G.; Joshi, S.; Shingade, S.; RR Pissurlenkar, R.R. Assessment of elementary derivatives of 1, 5-benzodiazepine as anticancer agents with synergy potential. Bioorg. Chem. 2021 117, 105331. DOI: 10.1016/j.bioorg.2021.105331.

  2. Rathod, C.H.; Nariya, P.B.; Maliwal, D.; Pissurlenkar, R.R.; Kapuriya, N.P.; Patel, A.S. Design, Synthesis and Antidiabetic Activity of Biphenylcarbonitrile‐Thiazolidinedione Conjugates as Potential α‐Amylase Inhibitors. Chem. Sel. 2021 6, 2464-2469. DOI: 10.1002/slct.202004362


  1. Mahajan, A.A.; Marathe, A.M.; Jarande, S.S.; Pissurlenkar, R.R; Gawande, V.T. Characterization and toxicity evaluation of degradation products of febantel Futur. J. Pharm. Sci 2020 6, 127. DOI: 10.1186/s43094-020-00138-7.

  2. Muthu, S. A.; Jadav, H. C.; Srivastava, S.; Pissurlenkar, R. R. S.; Ahmad, B. The reorganisation of conformations, stability and aggregation of serum albumin isomers through the interaction of glycopeptide antibiotic Teicoplanin: A thermodynamic and spectroscopy study. Int. J. Biol. Macromol. 2020 163, 66-78. DOI: 10.1016/j.ijbiomac.2020.06.258.

  3. Bhatia, R. K.; Singh, L.; Ruchika Garg, R.; Kaur, M.; Yadav, M.; Madan, J.; Kancherla, S.; Pissurlenkar, R. R. S.; Coutinho, E. C. Novel p-Functionalized Chromen-4-on-3-yl Chalcones Bearing Astonishing Boronic Acid Moiety as MDM2 Inhibitor: Synthesis, Cytotoxic Evaluation and Simulation Studies. Med. Chem. 2020 16, 212-228. DOI: 10.2174/1573406415666190531123751


  1. Figer, B.; Pissurlenkar, R. R. S.; Ambre, P.; Kalekar, S.; Renuka Munshi, R.; Gatne, M. and Shirsat, V., Treatment of Gastric Ulcers with Fenugreek Seed Extract; In Vitro, In Vivo and In Silico Approaches, Indian J Pharm Sci 2017, 79, 724-730.


  1. Muthu, S. A.; Mothi, N.; Shiriskar, S. M.; Pissurlenkar, R. R. S.; Kumar, A.; Ahmad, B., Physical basis for the ofloxacin-induced acceleration of lysozyme aggregation and polymorphism in amyloid fibrils, Arch. Biochem. Biophys. 2016, 592, 9-16. DOI:10.1016/

  2. Reshamwala, M. S. S.; Mamidipally, C.; Pissurlenkar, R. R. S.; Coutinho, E. C.; Noronha, S., Evaluation of use of risedronate as an antibiofilm agent, J. Med. Micrbiol. 2015 65, 9-18. DOI: 10.1099/jmm.0.000193

  3. Advani, P.; Joseph, B.; Ambre, P.; Pissurlenkar, R. R. S.; Khedkar, V; Iyer, K.; Gabhe, S.; Iyer, R. P.; Coutinho, E., In silico optimization of pharmacokinetic properties and receptor binding affinity simultaneously: a “parallel progression approach to drug design” applied to β-blockers, J. Biomol. Struct. Dyn. 2016 34, 384-398. DOI: 10.1080/07391102.2015.1033646


  1. Bramhane, D. M.; Kulkarni, P. A.; Martis, E. A. ; Coutinho, E. C.; Nagarsenker, M. S., Characterization of pioglitazone cyclodextrin complexes: Molecular modeling to in vivo evaluation, J. Pharm. Bioallied Sci. 2015 8, 161 - 169. DOI: 10.4103/0975-7406.171680

  2. Ratnaparkhi, A.; Muthu, S.; Shiriskar, S. M.; Pissurlenkar, R. R. S.; Choudhary, S.; Ahmad, B., Effects of Hesperidin, A Flavanone Glycoside Interaction on the Conformation, Stability and Aggregation of Lysozyme. Multispectroscopic and Molecular Dynamic Simulation Studies, J. Biomol. Struct. Dyn. 2015, 33, 1866-1879. DOI:10.1080/07391102.2014.975746

  3. Shiriskar, S. M.; Agarwal, N.; Pissurlenkar, R. R. S.; Ahmad, B., Effects of 2-Amino-8-Hydroxyquinoline Interaction on the Conformation of Physiological Isomers of Human Serum Albumin, Eur. Biophys. J. 2015, 44, 193-205. DOI: 10.1007/s00249-015-1014-0

  4. Borkar, M.; Pissurlenkar, R. R. S.; Coutinho, E. C. C., Mapping activity elements of protegrin antimicrobial peptides by HomoSAR, RSC Adv. 2015, 5, 78790-78798. DOI: 10.1039/C5RA14402G

  5. Bhattarchaya D.; Mishra, N.; Coutinho, E. C.; Srivastava, S.; Pissurlenkar, R. R. S.; Shaikh M. S.;, Conformational study on Pheromonotropin neuropeptide using NMR and Molecular Dynamics., Pharmaceutica Anal. Acta J. 2015, 6, 359. DOI:10.4172/2153-2435.1000359

  6. Karnik, A.; Pandey, A.; Mohammed, H.; Pissurlenkar, R. R. S., Size-induced chiral discrimination switching by (S)-(-)-2-(α-hydroxyethyl) benzimidazole derived aza-crowns, Chem. Plus Chem. 2015, 80, 475-479. DOI: 10.1002/cplu.201402141

  7. Pandey, A.; Pissurlenkar, R. R. S.; Karnik, A., New family of fluorogenic azacrown probes with identical cavity size but different electronic environment outside the macrocycle: Effects on sensitivity of Cu2+ detection, J. Incl. Phenom. Macrocycl. Chem. 2015, 81, 251-261. DOI: 10.1007/s10847-014-0453-z

  8. Joshi, R. R.; Barchha, A.; Khedkar, V. M.; Pissurlenkar, R. R. S.; Sarkar, S.; Sarkar, D.; Joshi R. R.; Joshi, R. A.; Shah, A. K.; Coutinho, E. C., Targeting Dormant Tuberculosis Bacilli: Results for molecules with a novel Pyrimidone Scaffold, Chem. Bio. Drug Des. 2015, 85, 201-207. DOI: 10.1111/cbdd.12373

  9. Martis, E. A. F.; Chandarana, R. C.; Shaikh, M. S.; Ambre, P. K.; D’Souza, J. S.; Iyer, K. R.; Coutinho, E. C.; Nandan, S. R.; Pissurlenkar, R. R. S., Quantifying Ligand-Receptor Interactions for Gorge Spanning Acetylcholinesterase Inhibitors for the Treatment of Alzheimer’s disease, J. Biomol. Struct. Dyn. 2015, 33, 1107-1125. DOI:10.1080/07391102.2014.931824

  10. Khedkar, V. M.; Joseph, J.; Pissurlenkar, R. R. S.; Saran, A.; and Coutinho, E. C. How good are ensembles in improving QSAR models? The case with eCoRIA, J. Biomol. Struct. Dyn. 2015, 33, 749-769. DOI: 10.1080/07391102.2014.909744.


  1. Ugarkar, A. G.; Ambre P. K.; Coutinho E. C.; Nandan, S.; Pissurlenkar R. R. S., Extracting Structural requirements for activity of GPR119 agonists: An Hologram Quantitative Structure Activity Relationship (HQSAR) study, Can. J. Chem. 2014, 92, 670-676. DOI: 10.1139/cjc-2014-0129

  2. Ambre, P. K.; Pissurlenkar, R. R. S.; Wavhale, R. D.; Shaikh, M. S.; Khedkar, V. M.; Wan, B.; Franzblau, S. G.; Coutinho, E. C., 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. 2014, 23, 2564-2575. DOI: 10.1007/s00044-013-0850-7

  3. Borana, M. S.; Mishra, P.; Pissurlenkar, R. R. S.; Hosur, R. V.; Ahmad, B., Curcumin and Kaemferol Prevent Lysozyme fibril Formation by Modulating Aggregation Kinetic Parameters, BBA - Prot. & Proteom. 2014, 1844, 670–680. DOI: 10.1016/j.bbapap.2014.01.009

  4. 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, Carbohydr. Polym. 2014, 103, 300-309. DOI: 10.1016/j.carbpol.2013.12.047

  5. Kaur, M.; Bhatia, R. K.; Pissurlenkar, R. R. S.; Coutinho, E. C.; Jain, U. K.; Katare, O. M.; Chandra, R.; Madan, J., Telmisartan complex augments solubility, dissolution and drug delivery in prostate cancer cells, Carbohydr. Polym. 2014, 101, 614-622. DOI: 10.1016/j.carbpol.2013.09.077

  6. Mushtaque S 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. 2014, 76, 116-124.


  1. Borkar, M.; Pissurlenkar, R. R. S.; Coutinho, E. C. C., HomoSAR: Bridging Comparative Protein Modeling with Quantitative Structural Activity Relationship to design new peptides, J. Comput. Chem. 2013, 34, 2635–2646. DOI: 10.1002/jcc.23436

  2. Samal, R. P.; Khedkar, V. M.; Pissurlenkar, R. R. S.; Bwalya, A. G.; Tasdemir, D.; Joshi, R. A.; P. R. Rajamohanan and Coutinho, E. C., Design, synthesis, structural characterization by IR, 1H, 13C, 15N, 2D-NMR, X-ray diffraction and biological evaluation of a new class of Phenylaminoacetic acid benzylidene hydrazines as pfENR inhibitors, Chem. Bio. Drug Des. 2013, 81, 715-729. DOI: 10.1111/cbdd.12118

  3. Kamtekar, N.; Pandey, A.; Agrawal, N.; Pissurlenkar, R. R. S.; Borana, M.; Ahmad, B., Interaction of multimicrobial synthetic inhibitor 1,2-bis(2-benzimidazolyl)-1,2-ethanediol with serum albumin: Spectroscopic and computational studies, PLoS ONE 2013, 8, e53499. DOI: 10.1371/journal.pone.0053499


  1. Ambre, P. K.; Pissurlenkar, R. R. S.; Iyer, R. P.; Coutinho, E. C., Identification of new Checkpoint Kinase-1 (Chk1) Inhibitors by Docking, 3D-QSAR and Pharmacophore Modeling methods, Can. J. Chem. 2012, 90, 675-692. DOI: 10.1139/v2012-047

  2. Khan, T. K.; Pissurlenkar, R. R. S.; Shaikh, M. S.; M. Ravikanth, Synthesis and studies of covalently linked meso-furyl boron-dipyrromethene-ferrocene conjugates, J. Organomet. Chem. 2012, 697, 65-73. DOI: 10.1016/j.jorganchem.2011.10.016.

  3. 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. Coutinho, E. C., Molecular Modeling Studies, Synthesis and Biological evaluation of Novel Plasmodium falciparum Lactate Dehydrogenase (pfLDH) Inhibitors, Anti-Infect. Agents 2012, 10, 55-71. DOI: 10.2174/2211362611201010055

  4. Chadha, R.; Gupta, 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-cyclodextrin and its derivatives Int. J. Pharm. Pharm. Sci. 2012, 4, 102-112.

  5. Khobragade, A.; Shaikh, M. S.; Wavhale, R. D.; Ambre, P. K.; Pissurlenkar, R. R. S.; Coutinho, E. C., Design, Synthesis and Biological Evaluation of inhibitors against Mycobacterium tuberculosis - methionine s-adenosyltransferase (MAT), FS J. Pharm. Res. 2012, 1, 60-63.


  1. 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. 2011, 11, 228-237. DOI: 10.2174/187152411798047762

  2. Jain, A. S.; Date, A. A.; Pissurlenkar, R. R. S.; Coutinho, E. C. Nagarsenker, M. S., Sulfobutyl Ether7 β-cyclodextrin (SBE7 β-CD) carbamazepine Complex: Preparation, Characterization, Molecular Modeling and Evaluation of In Vivo Antiepileptic Activity, AAPS Pharm Sci Tech, 2011, 12, 1163-1175. DOI: 10.1208/s12249-011-9685-z.

  3. Chadha, R.; Gupta, S.; Shukla, G.; Jain, D.V.S.; Pissurlenkar, R. R. S.; Coutinho, E. C., Interaction of artesunate with β-cyclodextrins: Characterisation, thermodynamic parameters, molecular modeling, effect of PEG on complexation and antimalarial activity, Results in Pharma Sci. 2011, 1, 38-48. DOI: 10.1016/j.rinphs.2011.07.002.

  4. Chadha, R.; Gupta, S.; Shukla, G.; Jain, D.V.S.; Pissurlenkar, R. R. S.; Coutinho, E. C., Binary and Ternary Complexes of Arteether β-CD - Characterization, Molecular Modeling and in Vivo Studies, Pharmacol. and Pharm. 2011, 2, 212-225. DOI:10.4236/pp.2011.23030.

  5. Pissurlenkar, R. R. S.; Khedkar, V. M.; Iyer, R. P.; Coutinho, E. C., Ensemble QSAR (eQSAR): A 2D peptide QSAR approach based on conformational ensembles and metric descriptors, J. Comput. Chem. 2011, 32, 2204–2218. DOI: 10.1002/jcc.21804


  1. 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. 2010, 16, 383-391. DOI: 10.1002/psc.1250.

  2. Khedkar V. M.; Ambre, P. K.; Verma, J.; Shaikh, M. S.; Pissurlenkar, R. R. S.; Coutinho, E. C., Molecular docking and 3D-QSAR studies of HIV-1 Protease inhibitors, J. Mol. Mod. 2010, 16, 1251-1268. DOI: 10.1007/s00894-009-0636-5.

  3. 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.; Coutinho, E. C., Synthesis, in vitro anti-tubercular activity and 3D-QSAR study of 1,4-dihydropyridines, Mol. Divers. 2010, 14, 285-305. DOI: 10.1007/s11030-009-9162-8.

  4. Pawar, B.; Kanyalkar, M. A.; Joshi, M.; Pissurlenkar, R. R. S.; Coutinho E. C.; 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. 2010, 2, 47-56.


  1. Morde, V. A.; Shaikh M. S.; Pissurlenkar, R. R. S.; Coutinho, E. C., Molecular Modeling Studies, Synthesis and Biological evaluation of Plasmodium falciparum Enoyl-Acyl Carrier Protein Reductase (FabI) inhibitors, Mol. Divers. 2009, 13, 501-517. DOI: 10.1007/s11030-009-9141-0.


  1. Pissurlenkar, R. R. S.; Coutinho, E. C., HomoSAR: An integrated approach using Homology Modeling and Quantitative Structure Activity Relationship for activity prediction of peptides., Sch. Res. Exch. 2008, 2008, Article ID 360572, 1-13. DOI: 10.3814/2008/360572.

  2. Virsodia, V.; Pissurlenkar, R. R. S.; Manvar, D.; Dholakia, C.; Adlakha, P.; Shah, A.; Coutinho, E. C., 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. 2008, 43, 2103-2115. DOI: 0.1016/j.ejmech.2007.08.004.


  1. Pissurlenkar, R. R. S.; Shaikh M. S.; Coutinho, E. C., 3D-QSAR studies of the Dipeptidyl peptidase IV inhibitors using a docking based alignment, J. Mol. Mod. 2007, 13, 1047-1071. DOI: 10.1007/s00894-007-0227-2.

  2. Upadhye. S. P.; Pissurlenkar, R. R. S.; Coutinho, E. C.; Karnik, A. V., A Furo-fused BINOL based Crown as Fluorescent Chiral Sensor for Enantioselective Recognition of Phenyl ethylamine and Ethyl ester of Valine, J. Org. Chem. 2007, 72, 5709-5714. DOI: 10.1021/jo070850y.

  3. Pissurlenkar, R. R. S.; Malde, A. K.; Khedkar, S. A.; Coutinho, E. C., Encoding Type and Position in Peptide QSAR: Application to peptides binding to Class I MHC Molecule HLA-A*0201, QSAR. & Comb. Sci. 2007, 26, 189-203. DOI: 10.1002/qsar.200530184.