Partha Pratim Roy


Partha Pratim Roy


University of Insubria

Postal addresse

Department of Structural and Functional Biology
Via J.H. Dunant 3 - 21100 Varese - Italy

Curriculum Vitae

Post Doctoral Fellow Prof. Paola Gramatica, Dr. Ester Papa, Department of Structural and Functional Biology, University of Insubria, Varese, Italy, “Development and validation of QSAR models on emerging organic pollutants”
PhD “In silico modeling of selected classes of Cytochrome inhibitors using chemometric tools” under the guidance of Dr. Kunal Roy, Jadavpur University, Kolkata-700 032, West Bengal, INDIA.
Master of Pharmacy (2007) “On Some Aspects of Validation of Predictive QSAR Models”, Jadavpur University, Kolkata-700 032, West Bengal, INDIA.
Bachelor of Pharmacy (2004) from Jadavpur University, Kolkata-700 032, West Bengal, INDIA.
List of publications
  1. Roy P P & Roy K, On some aspects of variable selection for partial least squares regression models, QSAR Comb Sci, 2008: 27, 302-313. doi:10.1002/qsar.200710043
  2. Roy P P, Leonard J T & Roy K, Exploring the impact of the size of training sets for the development of predictive QSAR models, Chemom Intell Lab Sys, 2008: 90, 31-42.doi:10.1016/j.chemolab.2007.07.004
  3. Roy P P, Paul S, Mitra I, Roy K, On Two Novel Parameters for Validation of Predictive QSAR models, Molecules, 2009, 14: 1660-1701. doi:10.3390/molecules14051660
  4. Mitra I, Roy P P, Kar S, Ojha P K, Roy K, On further application of rm2 as a metric for validation of QSAR models. Journal of Chemometrics, 2010, 24(1):22-33. doi:10.1002/cem.1268
  5. Roy K, Sanyal I and Roy P P, QSTR with Extended Topochemical Atom Indices. 9. A QSAR study on the Bioconcentration Factors of Nonionic Organic Compounds in Fish, SAR QSAR Environ. Res., 2006, 17: 563–582. doi:10.1080/10629360601033499
  6. Roy K, Roy P P, Exploring QSARs for binding affinity of azoles with CYP2Band CYP3A enzymes using GFA and G/PLS techniques, Chem Biol Drug Des.2008, 71: 464-471. doi:10.1111/j.1747-0285.2008.00658.x
  7. Roy K, Roy P P, Comparative QSAR studies of CYP1A2 inhibitor flavonoids using 2D and 3D descriptors, Chem. Biol Drug Des. 2008, 72: 370-382. doi:10.1111/j.1747-0285.2008.00717.x
  8. Roy K, Roy P P, Exploring QSAR and QAAR for Inhibitors of Cytochrome P450 2A6 and 2A5 Enzymes Using GFA and G/PLS Techniques, European Journal of Medicinal Chemistry 2009, 44:1941-1951.
  9. Roy K, Roy P P, Comparative chemometric modeling of cytochrome 3A4 inhibitory activity of structurally diverse compounds using stepwise MLR, FA-MLR, PLS, GFA, G/PLS and ANN techniques, European Journal of Medicinal Chemistry 2009, 44; 2913-2922. doi:10.1016/j.ejmech.2008.12.004
  10. Roy P P and Roy K, QSAR Studies of CYP2D6 Inhibitor Aryloxypropanolamine Using 2D and 3D Descriptors, Chem. Biol drug Des. 2009, 73:442-455. doi:10.1111/j.1747-0285.2009.00791.x
  11. Roy P P and Roy K, Exploring QSAR for CYP11B2 binding affinity and CYP11B2/CYP11B1 selectivity of diverse functional compounds, Journal of enzyme inhibition and medicinal chemistry, 2010, 25(3): 354–369 doi: 10.1080/14756360903179476
  12. Roy P P and Roy K, Classical and 3D-QSAR studies of cytochrome 17 inhibitor imidazole substituted biphenyls, Molecular Simulation, 2010, 36(4): 311–325, doi: 10.1080/08927020903426493
  13. Roy K and Roy P P, QSAR of Cytochrome inhibitors, Expert opinion on Metabolism and Toxicology, 2009, 5(10): 1245-1266.doi:10.1517/174250903158940
  14. Roy P P and Roy K, Docking and 3-D QSAR studies of diverse classes of human aromatase (CYP19) inhibitors, Journal of Molecular Modeling (in press). doi:10.1007/s00894-010-0667-y
  15. Roy P P and Roy K Pharmacophore mapping, molecular docking and QSAR studies of structurally diverse compounds as CYP2B6 Inhibitors, Molecular Simulation, 2010, .
  16. Roy P P and Roy K, Molecular docking and QSAR studies of aromatase inhibitor androstenedione derivatives, Journal of Pharmacy and Pharmacology,2010 doi: 10.1111/j.2042-7158.2010.01154.x
  17. Ray S, Roy P P, Sengupta C, Roy K, Exploring QSAR of hydroxyphenylureas as antioxidant using Physicochemical and electrotopological atom parameters, Molecular Simulation, 2010, 36, 484–492,