2015

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 Oct 23. DOI: 10.1099/jmm.0.000193. [Epub ahead of print]

Advani, P.; Joseph, B.; Ambre, P.; Pissurlenkar, R.; 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. 2015 Apr 9:1-33. DOI: 10.1080/07391102.2015.1033646 [Online]

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

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

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

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

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

Martis, E. A. F.; Chandarana, R. C.; Shaikh, M. S.; Ambre, P. K.; Nandan, S. R.;  D’Souza, J. S.;  Iyer, K. R.;  Coutinho, E. C.; 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
 
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

2014

Ugarkar, A. G.; Ambre P. K.; Coutinho E. C.; 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
 
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
 
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
 
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
 
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
 
2013

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
 
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
 
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

2012
 
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 Modelling methods
Can. J. Chem. 2012, 90, 675-692. DOI: 10.1139/v2012-047
 
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
 
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 Modelling Studies, Synthesis and Biological evaluation of Novel Plasmodium falciparum Lactate Dehydrogenase (pfLDH) Inhibitors
Anti-Infect. Agents 2012, 10, 55-71.
 
2011
 
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.
 
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 Modelling and Evaluation of In Vivo Antiepileptic Activity
AAPS Pharm Sci Tech, 2011, 12, 1163-1175. DOI: 10.1208/s12249-011-9685-z
 
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
 
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 Modelling and in Vivo Studies
Pharmacol. and Pharm. 2011, 2, 212-225. DOI: 10.4236/pp.2011.23030
 
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
 
2010
 
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. Prot. Sci. 2010, 16, 383-391. DOI: 10.1002/psc.1250

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
 
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
 
2009
 
Morde, V. A.; Shaikh M. S.; Pissurlenkar, R. R. S.; Coutinho, E. C.
Molecular Modelling 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
 
2008

Pissurlenkar, R. R. S.; Coutinho, E. C.
HomoSAR: An integrated approach using Homology Modelling 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
 
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
 
2007

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
 
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
 
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