List of Publications
[Dr. Kunal
Roy, M. Pharm, Ph.D., Drug Theoretics & Cheminformatics Lab,
Dept.
Pharmaceutical Technology, Jadavpur University.
E-mail : [email protected]]
[Only published, in print and accepted papers are listed]
(International publications are
marked with *)
[Recipient of Bioorganic and Medicinal Chemistry Most Cited
Paper 2003-2006, 2004-2007 and 2006-2009 Awards from Elsevier, The Netherlands]
[Recipient of Bioorganic and Medicinal Chemistry Letters
Most Cited Paper 2006-2009 Award from Elsevier, The Netherlands]
Fields of Research Interest
I Theoretical
1. Exploring QSARs of Ligands acting on Pharmacologically Relevant Targets of Contemporary Interest
2. Exploring QSARs of Antioxidants
3. Modeling of Physicochemical Properties of Organic Compounds
4. Exploring QSTRs of Chemicals and Environmental Pollutants
5. Modeling of Agrochemicals (insecticides, herbicides, plant growth regulators)
6. Exploring QSAR/QSPR/QSTR with Novel Extended Topochemical Atom (ETA) Indices developed in the Drug Theoretics Lab
II Experimental
Exploratory studies on drug induced lipid peroxidation and its inhibition with antioxidants.
Research Papers (Referred
Journals)
129.* Roy K, Paul S, Docking and 3D-QSAR studies of acetohydroxy acid synthase
inhibitor sulfonylurea derivatives. J Mol Model, 2009 (Accepted).
128.* Roy K, Mitra I, Advances in QSAR models of antioxidants. Expert Opin
Drug Discov, 2009 (Accepted).
127.* Roy K, Mitra I, Saha A, Molecular shape analysis of antioxidant and squalene synthase inhibitory
activities of aromatic tetrahydro-1,4-oxazine derivatives. Chem Biol Drug Des, 2009, http://dx.doi.org/10.1111/j.1747-0285.2009.00888.x .
126.* Roy
K, Ghosh G, QSTR with extended topochemical atom (ETA) indices. 12. QSAR for the toxicity
of diverse aromatic compounds to Tetrahymena
pyriformis using chemometric
tools. Chemosphere 2009,
http://dx.doi.org/10.1016/j.chemosphere.2009.07.072 .
125.* Roy K, Roy PP, QSAR of cytochrome inhibitors. Expert
Opin Drug Metabol Toxicol, 2009, http://dx.doi.org/10.1517/17425250903158940 .
124.* Roy PP, Roy K, Exploring QSAR for CYP11B2 binding affinity and
CYP11B2/CYP11B1 selectivity of diverse functional compounds using GFA and G/PLS
techniques. J Enz Inhib Med Chem, 2009, http://dx.doi.org/10.1080/14756360903179476 .
123.* Roy K, Paul S, Docking and 3D QSAR studies of protoporphyrinogen oxidase
inhibitor 3H-pyrazolo[3,4-d][1,2,3]triazin-4-one
derivatives. J Mol Model, 2009, http://dx.doi.org/10.1007/s00894-009-0528-8 .
122.* Roy K, Ghosh
G, QSTR with extended topochemical
atom (ETA) Indices. 13. Modeling of hERG K+ channel
blocking activity of diverse functional drugs using different chemometric
tools. Molecular Simulation, 2009, http://dx.doi.org/10.1080/08927020903015379 .
121.* Roy PP, Paul S, Mitra I, Roy K, On two novel parameters for validation of predictive QSAR models. Molecules, 14, 2009, 1660-1701, http://dx.doi.org/10.3390/molecules14051660 .
This publication
is freely downloadable from http://www.mdpi.com/1420-3049/14/5/1660
.
120.* Mitra I, Roy K,
Saha A, QSAR
of anti-lipid peroxidative activity of substituted benzodioxoles using chemometric tools. J Comput
Chem, 2009,
http://dx.doi.org/10.1002/jcc.21298 .
118.* Roy P P & Roy
K, QSAR studies of CYP2D6
inhibitor aryloxypropanolamines using 2D and 3D
descriptors.
Chem Biol Drug Des,
73, 2009, 442-455, http://dx.doi.org/10.1111/j.1747-0285.2009.00791.x
.
117.* Roy
K, Ghosh G, QSTR with extended topochemical atom (ETA)
indices. 11. Comparative QSAR of acute NSAID cytotoxicity
in rat hepatocytes using chemometric tools. Molecular Simulation, 35, 2009, 648-659, http://dx.doi.org/10.1080/08927020902744664
.
116.* Roy K & Roy PP, Comparative
chemometric modeling of cytochrome 3A4 inhibitory activity of structurally
diverse compounds using stepwise MLR, FA-MLR, PLS, GFA, G/PLS and ANN
techniques. Eur J Med Chem, 44,
2009, 2913-2922, http://dx.doi.org/10.1016/j.ejmech.2008.12.004 .
115.* Roy
K & Paul S, Exploring 2D
and 3D QSARs of 2,4-diphenyl-1,3-oxazolines for ovicidal activity against Tetranychus urticae. QSAR Comb Sci,
28, 2009, 406-425, http://dx.doi.org/10.1002/qsar.200810130
.
114.* Roy K & Roy PP, Exploring QSAR and QAAR for Inhibitors of
Cytochrome P450 2A6 and 2A5 Enzymes Using GFA and G/PLS Techniques. Eur J Med Chem,
44, 2009, 1941-1951, http://dx.doi.org/10.1016/j.ejmech.2008.11.010
.
113.* Roy
K & Roy PP, Comparative QSAR studies of
CYP1A2 inhibitor flavonoids using 2D and 3D
descriptors. Chem Biol Drug Des,
72, 2008, 370-382, http://dx.doi.org/10.1111/j.1747-0285.2008.00717.x .
112.* Roy
K & Ghosh G, QSTR
with Extended Topochemical Atom (ETA) Indices. 10.
Modeling of Toxicity of Organic Chemicals to Humans Using Different Chemometric
Tools. Chem Biol Drug Des,
72, 2008, 383-394, http://dx.doi.org/10.1111/j.1747-0285.2008.00712.x .
111.* Roy
K & Popelier P, Predictive QSPR modeling of
acidic dissociation constant (pKa) of
phenols in different solvents, J Phys
Org Chem, 22, 2009, 186-196, http://dx.doi.org/10.1002/poc.1447 .
110.* Mandal A S & Roy K, Predictive QSAR modeling of
HIV reverse transcriptase inhibitor TIBO derivatives. Eur J
Med Chem, 44, 2009, 1509-1524, http://dx.doi.org/10.1016/j.ejmech.2008.07.020
.
109. Ray S, De K, Sengupta
C & Roy K, QSAR study of lipid peroxidation-inhibition
potential of some phenolic antioxidants. Indian
J Biochem Biophys, 45, 2008, 198-205.
108.*
107.*
106.* Roy K & Roy P P, Exploring QSARs for Binding Affinity of Azoles with CYP2B and CYP3A Enzymes Using GFA and G⁄PLS Techniques. Chem Biol Drug Des, 71, 2008, 464-473, http://dx.doi.org/10.1111/j.1747-0285.2008.00658.x .
105.*
104.* Ray
S, Sengupta C & Roy K, QSAR
modeling for lipid peroxidation inhibition potential
of flavonoids using topological and structural
parameters. Central Eur J Chem, 6, 2008, 267-276, http://dx.doi.org/10.2478/s11532-008-0014-7 .
103.* Roy K, Mandal A
S, Development
of linear and nonlinear predictive QSAR models and their external validation
using molecular similarity principle for anti-HIV indolyl
aryl sulfones. J Enz Inh Med Chem,
23, 2008, 980-995, http://dx.doi.org/10.1080/14756360701811379
.
102.* Roy K, On some aspects of validation of predictive QSAR models. Expert Opin Drug Discov, 2, 2007, 1567-1577, http://dx.doi.org/10.1517/17460441.2.12.1567 .
1101.* Ray
S, Sengupta C, Roy K, QSAR modeling of antiradical and antioxidant activities of flavonoids using electrotopological
state atom (E-State) parameters. Central Eur
J Chem, 5, 2007, 1094-1113, http://dx.doi.org/10.2478/s11532-007-0047-3
100* 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, 90, 2008, 31-42, http://dx.doi.org/10.1016/j.chemolab.2007.07.004 .
99. Ray S, Roy K & Sengupta C, Evaluation of Protective Effects of Water Extract of Spirulina platensis (blue green algae) on Cisplatin-Induced Lipid Peroxidation. Indian J Pharm Sci, 69, 2007, 378-383. http://www.ijpsonline.com/article.asp?issn=0250-474X;year=2007;volume=69;issue=3;spage=378;epage=383;aulast=Ray;type=0
98.*
97. Ray S, Roy K & Sengupta C, In vitro evaluation of antiperoxidative potential of water extract of Spirulina platensis (blue green algae) on cyclophosphamide-induced lipid peroxidation. Indian J Pharm Sci, 69, 2007, 190-196. http://www.ijpsonline.com/article.asp?issn=0250-474X;year=2007;volume=69;issue=2;spage=190;epage=196;aulast=Ray;type=0
96.* De K, Roy K & Sengupta C, Inhibition of lipid peroxidation induced by hydroxyprogesterone caproate by some conventional antioxidants in goat liver homogenates. Acta Pol Pharm, 64, 2007, 201-210.
95.* Chakraborty S,
94.* Roy P P & Roy K, On some
aspects of variable selection for partial least squares regression models. QSAR
Comb Sci, 27, 2008, 302-313, http://dx.doi.org/10.1002/qsar.200710043 .
93. Chakraborty S, Sengupta C & Roy K, Comparative QSAR modeling of COX-2 inhibitor 1,2-diarylimidazoles using E-state and physicochemical parameters. Indian J Biochem Biophys, 44, 2007, 169-175.
92. Roy K and Dalai M K, Exploring QSAR of peripheral benzodiazepine receptor binding affinity of N,N-dialkyl-2-phenylindol-3-yl-glyoxylamides using physico-chemical descriptors. Indian J Biochem Biophys, 44, 2007, 114-121. http://www.niscair.res.in/ScienceCommunication/ResearchJournals/rejour/ijbb/ijbb2k7/ijbb_april07.asp#a8
91.* Leonard J T and Roy K, Comparative Classical QSAR Modeling of Anti-HIV Thiocarbamates. QSAR Comb Sci, 26, 2007, 980-990, http://dx.doi.org/10.1002/qsar.200630140 .
90.* Leonard J T and Roy K, Exploring molecular shape analysis of styrylquinoline derivatives as HIV-1 integrase inhibitors. Eur J Med Chem, 43, 2008, 81-92, http://dx.doi.org/10.1016/j.ejmech.2007.02.021 .
89. Dalai M K, Leonard J T and Roy K, Exploring QSAR of peripheral benzodiazepine receptor binding affinity of 2-phenylpyrazolo[1,5-a]pyrimidin-3-yl-acetamides using topological and physicochemical descriptors. Indian J Chem, 45B, 2006, 2497-2505.
88.* Roy K, Sanyal I and Ghosh G, QSPR of n-Octanol/Water Partition Coefficient of Nonionic Organic
Compounds Using Extended Topochemical Atom (ETA)
Indices. QSAR Comb Sci, 25, 2006,
629-646, http://dx.doi.org/10.1002/qsar.200610112 .
87.* Roy K, Sanyal I and Roy P P, QSPR of the Bioconcentration Factors of Nonionic Organic Compounds in Fish using Extended Topochemical Atom (ETA) Indices. SAR QSAR Environ Res, 17, 2006, 563-582. http://dx.doi.org/10.1080/10629360601033499 .
86.* Roy K, Toropov A and Raska I Jr, QSAR modeling of peripheral versus central benzodiazepine receptor binding affinity of 2-phenylimidazo[1,2-a]pyridineacetamides using optimal descriptors calculated with SMILES. QSAR Comb Sci, 26, 2007, 460-468, http://dx.doi.org/10.1002/qsar.200630072 .
85.* Roy K, Ecotoxicological modeling and risk assessment using
chemometric tools. Mol Divers, 10, 2006, 93-94. http://dx.doi.org/10.1007/s11030-006-9025-5 .
84.* Leonard J T & Roy K, Comparative QSAR modeling of CCR5 receptor binding affinity of substituted 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas. Bioorg Med Chem Lett, 16, 2006, 4467-4474. doi:10.1016/j.bmcl.2006.06.031 .
[Bioorganic and Medicinal Chemistry Letters Most Cited
Paper 2006-2009 Award from Elsevier, The Netherlands]
83. Ray S, Roy K
& Sengupta C, Cisplatin-induced
lipid peroxidation and its inhibition with ascorbic
acid. Indian J Pharm Sci,
68, 2006, 199-204. http://www.ijpsonline.com/article.asp?issn=0250-474X;year=2006;volume=68;issue=2;spage=199;epage=204;aulast=Ray;type=0
.
82. Dalai M K, Leonard J T
& Roy K, Exploring selectivity requirements for peripheral versus central benzodiazepine receptor
binding affinity: QSAR modeling of 2-phenylimidazo[1,2-a]pyridine acetamides using topological and physicochemical
descriptors. Indian J Biochem Biophys, 43, 2006, 105-118.
81.* De K, Roy K, Sengupta C, Evaluation of ascorbic acid, probucol and alpha-tocopherol as
suppressor of dexamethasone induced lipid peroxidation. Acta
Pol Pharm, 62,
2005, 257-264.
80.*
79. Roy K
& Saha A, QSPR with TAU Indices: Part 5. Liquid Heat Capacity of Diverse Functional Organic Compounds.
J Indian Chem Soc, 83, 2006, 351-355.
78. Roy K &
Leonard J T, Topological QSAR modeling of cytotoxicity
data of anti-HIV 5-phenyl-1-phenylaminoimodiazole derivatives using GFA, G/PLS,
FA and PCRA techniques. Indian J Chem, 45A,
2006, 126-137.
77.* Leonard J T and Roy K,
The HIV Entry Inhibitors Revisited. Curr Med Chem,
13, 2006, 911-934. http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=pubmed&dopt=Abstract&list_uids=16611075&query_hl=6&itool=pubmed_docsum
76.* Roy K and
75.* Roy K and Ghosh G, QSTR with extended topochemical
atom (ETA) indices. VI. Acute toxicity of benzene derivatives to tadpoles (Rana japonica). J. Mol. Model, 12, 2006,
306-316, http://dx.doi.org/10.1007/s00894-005-0033-7
.
74.* Roy K and Leonard J T, On selection of training and test sets for the development
of predictive QSAR models. QSAR Comb Sci, 25, 2006,
235-251, http://dx.doi.org/10.1002/qsar.200510161
.
73. Roy K & Saha A, QSPR with TAU indices: Molar refractivity of diverse functional acyclic compounds. Indian J Chem, 44B, 2005, 1693-1707.
72.* Leonard J T & Roy K, QSAR by LFER model of HIV protease inhibitor mannitol derivatives using FA-MLR, PCRA and PLS techniques, Bioorg Med Chem, 14, 2005, 1039-1046, http://dx.doi.org/10.1016/j.bmc.2005.09.022 .
[Bioorganic and Medicinal Chemistry Most Cited Paper 2006-2009 Award from Elsevier, The Netherlands]
71.* Roy K & Lenard J T, QSAR Analyses of 3-(4-Benzylpiperidin-1-yl)-N-phenylpropylamine Derivatives as Potent CCR5 Antagonists. J Chem Inf Model, 45, 2005, 1352-1368, http://dx.doi.org/10.1021/ci050205x .
70.* Bhattacharya P & Roy K, QSAR of Adenosine A3 Receptor Antagonist 1,2,4-Triazolo[4,3-a]quinoxalin-1-one Derivatives Using Chemometric Tools Bioorg Med. Chem Lett., 15, 2005, 3737-3743. http://dx.doi.org/10.1016/j.bmcl.2005.05.051 .
69. Chakraborty S, Sengupta C & Roy K, Exploring selectivity requirements for COX-2 versus COX-1 binding of 2-(5-Phenyl-pyrazol-1-yl)-5-methanesulfonylpyridines using topological and physico-chemical parameters, Indian J Biochem Biophys 42, 2005, 106-112.
68.*> Roy K, Leonard J T, Classical QSAR Modeling of Anti-HIV 2,3-Diaryl-1,3-thiazolidin-4-ones, QSAR Comb Sci 24, 2005, 579-592. http://dx.doi.org/10.1002/qsar.200430901
67.*> Roy K & Leonard J T, QSAR by LFER Model of Cytotoxicity Data of Anti-HIV 5-phenyl-1-phenylamino-1H-imidazole Derivatives Using Principal Component Factor Analysis and Genetic Function Approximation. Bioorg Med Chem 13, 2005, 2967-2973. doi:10.1016/j.bmc.2005.02.003
66.*> Mukherjee
S, Saha A & Roy K, QSAR of Estrogen
Receptor Modulators: Exploring Selectivity Requirements for ERa
versus ERb Binding of Tetrahydroisoquinoline
Derivatives Using E-State and Physicochemical Parameters. Bioorg Med. Chem. Letters, 15, 2005, 957-961. http://dx.doi.org/10.1016/j.bmcl.2004.12.048
65.*> Bhattacharya P, Leonard J T & Roy K, Exploring 3D-QSAR of thiazole and thiadiazole derivatives as potent and selective human adenosine A3 receptor antagonists. J Mol Model 11, 2005, 516-524. http://dx.doi.org/10.1007/s00894-005-0273-6
64.*> Roy K, Topological Descriptors in Drug Design and Modeling Studies. (Guest Editorial). Mol Divers, 8, 2004, 321-323. http://dx.doi.org/10.1023/B:MODI.0000047519.35591.b7
63.* Bhattacharya P, Leonard J T & Roy K, Exploring QSAR
of thiazole and thiadiazole
derivatives as potent and selective human adenosine A3 receptor
antagonists using FA and GFA techniques. Bioorg
Med. Chem., 13, 2005, 1159-1165. http://dx.doi.org/10.1016/j.bmc.2004.11.022
62.* Roy K & Ghosh G, QSTR with Extended Topochemical Atom Indices. Part 5. Modeling of the Acute Toxicity of Phenylsulfonyl Carboxylates to Vibrio fischeri Using Genetic Function Approximation. Bioorg Med. Chem., 13, 2005, 1185-1194. http://dx.doi.org/10.1016/j.bmc.2004.11.014
61.* Roy K & Toropov A A, QSPR modeling of water solubility of diverse functional aliphatic compounds by optimization of correlation weights of local graph invariants. J Mol Model, 11, 2005, 89-96. http://dx.doi.org/10.1007/s00894-004-0224-7
60.* Roy K & Ghosh
G, QSTR with Extended Topochemical Atom Indices. 4.
Modeling of the Acute Toxicity of Phenylsulfonyl Carboxylates to Vibrio fischeri Using Principal Component Factor Analysis and
Principal Component Regression Analysis. QSAR Comb Sci, 23, 2004, 526-535. http://dx.doi.org/10.1002/qsar.200430891
http://www3.interscience.wiley.com/cgi-bin/abstract/109627641/ABSTRACT
59.* Chakraborty S, Dev Bhuti P, Ray
S, Sengupta C & Roy K, A study on ceftriaxone-induced
lipid peroxidation using 4-hydroxy-2-nonenal as model
marker. Acta
Pol Pharm, 62,
2005, 141-143. http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=pubmed&dopt=Abstract&list_uids=16161356&query_hl=1
58.* Ray S, Sengupta C & Roy K, Evaluation of ascorbic acid as
suppressor of cyclophosphamide induced lipid peroxidation using common laboratory markers. Acta Pol Pharm, 62, 2005, 145-152. http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=pubmed&dopt=Abstract&list_uids=16161357&query_hl=1
57.* Leonard J T & Roy K, QSAR Modeling of Anti-HIV Activities of Alkenyldiarylmethanes Using Topological and Physicochemical Descriptors. Drug Des Discov, 18, 2003, 165-180. http://dx.doi.org/10.1080/10559610390484221
56. Roy K & Saha A, QSPR with TAU Indices: Boiling Points of Sulfides and Thiols. Indian J Chem, 43A, 2004, 1369-1376. http://www.niscair.res.in/ScienceCommunication/ResearchJournals/rejour/ijca/ijca2k4/ijca_jul04.asp#p1
55.* Leonard J T, Roy K, Classical QSAR Modeling of CCR5 Receptor Binding Affinity of Substituted Benzylpyrazoles. QSAR Comb Sci, 23, 2004, 387-398. http://dx.doi.org/10.1002/qsar.200430871
http://www3.interscience.wiley.com/cgi-bin/abstract/109579034/ABSTRACT
54.* Chakraborty S, Sengupta C, Roy K, Exploring QSAR with E-state index: Selectivity Requirements for COX-2 versus COX-1 Binding of Terphenyl Methyl Sulfones and Sulfonamides. Bioorg Med Chem Lett, 14, 2004, 4665-4670. http://dx.doi.org/10.1016/j.bmcl.2004.06.095
53.*> Roy K, Leonard J T, Sengupta A, QSAR of adenosine receptor antagonists. 3. Exploring physicochemical requirements for selective binding of 1,2,4-triazolo[5,1-i]purine derivatives with human adenosine A3 receptor subtype. Bioorg Med. Chem Lett., 14, 2004, 3705-3709.
http://dx.doi.org/10.1016/j.bmcl.2004.05.007
52.* Sengupta
C, Leonard J T, Roy K, Exploring
QSAR of melatonin receptor ligand benzofuran
derivatives using E-state index. Bioorg Med.
Chem Lett., 14, 2004, 3435-3439.
http://dx.doi.org/10.1016/j.bmcl.2004.04.073
51.*> De K, Roy K, Saha A, Sengupta A, Exploring effects of different antioxidants on dexamethasone-induced lipid peroxidation using common laboratory markers. Acta Pol Pharm, 61, 2004, 77-86.
50.*> De K, Sengupta C, Roy K, QSAR of globulin binding affinity of corticosteroids using AM1 calculations. Bioorg Med Chem 12, 2004, 3323-3332. http://dx.doi.org/10.1016/j.bmc.2004.03.055
49.* Roy K & Ghosh G, QSTR with Extended Topochemical Atom Indices. 3. Toxicity of Nitrobenzenes to Tetrahymena pyriformis. QSAR Comb Sci, 23, 2004, 99-108. http://dx.doi.org/10.1002/qsar.200330864 .
http://www3.interscience.wiley.com/cgi-bin/abstract/108067283/ABSTRACT
48.*> Roy K & Ghosh G, QSTR with Extended Topochemical Atom Indices. 2. Fish Toxicity of Substituted Benzenes. J. Chem. Inf. Comput. Sci., 44, 2004, 559-567. http://dx.doi.org/10.1021/ci0342066 .
47.* Toropov A A & Roy K, QSPR Modeling of Lipid-Water partition Coefficient by Optimization of Correlation Weights of Local Graph Invariants. J. Chem. Inf. Comput. Sci., 44, 2004, 179-186. http://dx.doi.org/10.1021/ci034200g .
46.* Roy K & Leonard J T, QSAR Modeling of HIV-1 Reverse Transcriptase Inhibitor
2-Amino-6-arylsulfonylbenzonitriles and Congeners Using Molecular Connectivity and E-State Parameters. Bioorg Med Chem, 12, 2004, 745-754.
http://dx.doi.org/10.1016/j.bmc.2003.11.009 .
[Received Bioorganic and Medicinal Chemistry Most Cited Paper 2003-2006 and
2004-2007 Awards from Elsevier,
45.*> Leonard, J T & Roy K, Classical QSAR Modeling of HIV-1 Reverse Transcriptase Inhibitor 2-Amino-6-arylsulfonylbenzonitriles and Congeners. QSAR Comb Sci, 23, 2004, 23-35. http://dx.doi.org/10.1002/qsar.200330845 .
http://www3.interscience.wiley.com/cgi-bin/abstract/107617181/ABSTRACT
44. Roy K, Chakraborty S, Ghosh C C & Saha A, QSPR with TAU Indices: Molar Thermochemical Properties of Diverse Functional Acyclic Compounds, J Indian Chem Soc, 81, 2004, 115-125.
43.* Roy K & Ghosh G, Introduction of Extended Topochemical Atom (ETA) Indices in the Valence Electron Mobile (VEM) Environment as Tools for QSAR/QSPR Studies, Internet Electron J Mol Des, 2, 2003, 599-620, http://www.biochempress.com .
42.* Roy K, Chakraborty S & Saha A, Exploring Selectivity Requirements for COX-2 vs. COX-1 binding of 3,4-diaryloxazolones using E-state index, Bioorg. Med. Chem. Lett., 13, 2003, 3753-3757, doi:10.1016/j.bmcl.2003.07.002 .
41.* Roy K & Saha A, QSPR with TAU Indices: Water Solubility of Diverse Functional Acyclic Compounds. Internet Electron J Mol Des, 2, 2003, 475-491, http://www.biochempress.com .
40.* Roy K & Saha A, Comparative QSPR Studies with Molecular Connectivity, Molecular Negentropy and TAU Indices. Part I : Molecular Thermochemical Properties of Diverse Functional Acyclic Compounds, J. Mol. Model. 9, 2003, 259-270. http://dx.doi.org/10.1007/s00894-003-0135-z . http://www.springerlink.com/app/home/contribution.asp?wasp=n97bk9fd867qxgaf65ar&referrer=parent&backto=issue,7,8;journal,2,72;linkingpublicationresults,id:100529,1
DOI 10.1007/s00894-003-0135-z
39.* Roy
K, QSAR of Adenosine Receptor Antagonists II: Exploring Physicochemical
Requirements for Selective Binding of 2-Arylpyrazolo[3,4-c]quinoline Derivatives with Adenosine A1 and A3
Receptor Subtypes. QSAR Comb Sci, 22,
2003, 614-621. http://dx.doi.org/10.1002/qsar.200330821
.
http://www3.interscience.wiley.com/cgi-bin/abstract/104552534/START
38.* Roy K & Saha A, Comparative QSPR Studies with Molecular Connectivity, Molecular Negentropy and TAU Indices. Part II: Lipid-Water Partition Coefficient of Diverse Functional Acyclic Compounds. Internet Electron J Mol Des, 2, 2003, 288-305, http://www.biochempress.com .
37. Roy K, De A U & Sengupta C, QSAR of Peripheral Benzodiazepine Receptor Ligand 2-Phenylimidazo[1,2-a]pyridine Derivatives with Physicochemical Parameters. Indian J Biochem Biophys, 40, 2003, 203-208.
36. Roy K, QSAR of adenosine receptor antagonists I : Exploration of receptor interaction sites of 1,2-dihydro-2-phenyl-1,2,4-triazolo[4,3-a]quinoxaline-1-one derivatives using AM1 calculations. Indian J Chem, 42B, 2003, 1485-1496.
35. Saha A, Roy K, De K & Sengupta C, Effect of Norgestrel on Blood-Lipid Constituents in Relation to its Biological Activity, Indian J Pharm Sci, 65(2), 2003, 171.
34.* Roy K, Saha A, De K & Sengupta C, Evaluation of probucol as suppressor of ceftizoxime induced lipid peroxidation. Acta Pol Pharm, 59, 2002, 231.
33.* Mallick S, Roy K, Chakraborty A & Saha S, Mechanism of in vitro release kinetics of flurbiprofen loaded ethylcellulose micropellets. Acta Pol Pharm, 59, 2002, 193.
32.* Roy K, De A U & Sengupta C, QSAR with Electrotopological State Atom Index : Human Factor Xa Inhibitor N2-aroylanthranilamides. Drug Des Discov, 18, 2002, 33.
31.* Roy K, De A U & Sengupta C, QSAR of Human Factor Xa Inhibitor N2-aroylanthranilamides Using Principal Component Factor Analysis. Drug Des Discov, 18, 2002, 23.
30. Saha A, Roy K, De K & Sengupta C, QSAR with
29.* Saha A, Roy K, De K & Sengupta C, Effect of Desogestrel on Blood-Lipid in Relation to Its Biological Activities. Acta Pol Pharm - Drug Res, 59, 2002, 65.
28. De K, Roy K, Saha A & Sengupta C, QSAR with electrotopological state atom index. Part V. Anti-inflammatory activity of 7a -halogenocorticosteroids and their derivatives. J. Indian Chem. Soc., 79, 2002, 513.
27.* De K, Roy
K, Saha A & Sengupta
C, Evaluation of alpha-tocopherol, probucol and ascorbic acid as suppressors of digoxin induced lipid peroxidation.
Acta Pol. Pharm. - Drug Res., 58(5), 2001, 391.
26.* Roy K, De A U & Sengupta C, QSAR of Antimalarial Cyclic Peroxy Ketals II : Exploration of Pharmacophoric Site Using AM1 Calculations. Quant Struct-Act Relat, 20(4), 2001, 319. http://dx.doi.org/10.1002/1521-3838(200111)20:4<319::AID-QSAR319>3.0.CO;2-M .
http://www3.interscience.wiley.com/cgi-bin/abstract/88013338/START
25. De K, Roy K, Saha A & Sengupta C, Hydrocortisone-induced lipid peroxidation and its inhibition with various antioxidants. Indian J Pharm Sci, 63, 2001, 379.
24. Saha A, Roy K, De K & Sengupta C, Effect of contraceptive estradiol on blood-lipid. Indian J Pharm Sci, 63, 2001, 317.
23. Roy K, Sengupta C & De A U, Theoretical aspects of Rational Drug Design --- An overview. J Sci Ind Res, 60, 2001, 699.
22.* Roy K, Pal D K, De A U & Sengupta C, Drug Design and Discovery, QSAR of Matrix Metalloproteinase Inhibitor N-[(substituted phenyl)sulfonyl]-N-4-nitrobenzylglycine Hydroxamates Using LFER Model. Drug Design and Discovery, 17, 2001, 315.
21.
20. Roy K, Pal D K, Saha A & Sengupta C, QSAR with electrotopological state atom index : Part II. Antimalarial activity of dihydroqinghaosu derivatives. Indian J Chem, 40B, 2001, 587.
19. Roy K, Pal D K, Ghosh C C, De A U & Sengupta C, QSAR by Fujita-Ban approach of antileukemic 1-[(3-(dialkylamino)propyl)amino]-4-methyl-5H-pyrido[4,3-b]benzo[e] indoles and –benzo[g]indoles. Indian J Chem, 40B, 2001, 209.
18. * Roy K, Pal D K, De A U & Sengupta C, QSAR of antineoplastics IV : Hansch analysis of N-(7-indolyl)benzenesulfonamides against KB human nasopharynx carcinoma, colon 38 murine adenocarcinoma and P388 murine leukemia cell lines. Drug Design and Discovery, 17, 2001, 199.
17.* Roy K, Pal D K & Sengupta C, QSAR of antineoplastics V : Exploration of Receptor Interaction Sites of Antitumor N-(7-Indolyl)benzenesulfonamides Targeting G1 Phase Using Electrotopological State Atom Index. Drug Design and Discovery, 17, 2001, 207.
16. Roy K, Pal D K, De A U & Sengupta C, Comparative QSAR studies with molecular negentropy, molecular connectivity, STIMS and TAU indices. Part II : General anaesthetic activity of aliphatic hydrocarbons, halocarbons and ethers Indian J Chem, 40B, 2001, 129.
15. Saha A, Roy K, De K & Sengupta C, QSAR with electrotopological state atom index. Part 3. Receptor binding affinity of estrogens and non-steroidal estrogen analogs. J Indian Chem Soc, 78(2), 2001, 92.
14.* Roy K, Saha A, De K & Sengupta C, Ceftriaxone induced lipid peroxidation and its inhibition with various antioxidants : Part II. Evaluation of glutathione and probucol as antioxidants. Acta Polonie Pharmaceutica - Drug Research, 57(5), 2000, 385.
13.* Roy K, Pal D K & Sengupta C, Hansch analysis of antimalarial cyclic peroxy ketals with physicochemical and electrotopological parameters. Drug Design and Discovery, 17(2), 2000, 183.
12.* Saha A, Roy K, De K & Sengupta C, Effects of oral contraceptive norethindrone on blood-lipid and lipid peroxidation parameters. Acta Polonie Pharmaceutica - Drug Research, 57(6), 2000, 443.
11. Roy
K, Pal D K & Sengupta C, Hansch
analysis of Hansch analysis of antitumor 4b
-(arylamino)-4-desoxypodophyllotoxins
and their 4/-demethyl analogs, J
Indian Chem Soc, 77(9), 2000, 428.
10. Roy K, De A U & Sengupta C, Evaluation of glutathione and ascorbic acid as suppressors of drug-induced lipid peroxidation. Indian J Exp Biol, 38, 2000, 580..
9. De K, Roy K, Saha A & Sengupta C, Studies on protective effects of glutathione and tocopherol on norethindrone induced lipid peroxidation. Indian J Pharm Sci, 62(5), 2000, 343.
8. Saha A, Roy K, De K & Sengupta C, Effects of allylestranol in relation to its biological activity. Indian J Pharm Sci, 62(2), 2000, 115.
7. Roy K, Saha A, Chakraborty S & Sengupta C, Effects of Ceftizoxime, Ceftriaxone and Acyclovir on Goat Whole Blood Phospholipids in Relation to Their Therapeutic Activities. Indian J Pharm Sci, 62(1), 2000, 46.
6. Roy K, Pal D K, De A U & Sengupta C, Hansch Analysis of Anticancer Activities of C2-modified Paclitaxel Analogs against Human Ovarian Carcinoma 1A9, Human Colon Carcinoma HCT116 and Human Burkitt Lymphoma CA46 Cell Lines. Indian J Chem, 38B, 1999, 1194.
5. Roy K, De A U & Sengupta C, QSAR with electrotopological state atom index : Antiadrenergic activity of N,N-dimethyl-2-bromo-2-phenylethylamines. Indian J Chem, 38B, 1999, 942.
4. Roy K, Pal D K, De A U & Sengupta C, Comparative QSAR with molecular negentropy, molecular connectivity, STIMS and TAU indices : Part I. Tadpole narcosis of diverse functional acyclic compounds.Indian J Chem, 38B, 1999, 664.
3. Roy K, De A U & Sengupta C, Ceftriaxone induced lipid peroxidation and its inhibition with various antioxidants. Indian J Pharm Sci, 61(2), 1999, 76.
2. Roy K, Rudra S, De A U & Sengupta C, Evaluation of ascorbic acid as inhibitor of lipid peroxidation induced by cefotaxime sodium and metoprolol. Indian J Pharm Sci, 61(1), 1999, 44.
1. Roy K, Rudra S, De A U & Sengupta C, In vitro studies on effects of cefotaxime sodium and metoprolol tartrate on goat whole blood phospholipids. Indian J Pharm Sci, 60(3), 1998, 153.
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