Books
2001
Journal articles
2011
Vellarkad N Viswanadhan , Rajesh Hariharan , Vitukudi N Balaji (2011) Atom type preferences, structural diversity, and property profiles of known drugs, leads and non-drugs: A comparative assessment ACS Comb. Sci 13: 327-336 Abstract: A new characterization of known drug, lead, and representative nondrug
databases was performed taking into account several properties at the atomic and molecular
levels. This characterization included atom type preferences, intrinsic structural diversity (Atom
Type Diversity, ATD), and other well-known physicochemical properties, as an approach for
rapid assessment of druglikeness for small molecule libraries. To characterize ATD, an elaborate
united atom classification, UALOGP (United Atom Log P), with 148 atom types, was
developed along with associated atomic physicochemical parameters. This classification also
enabled an analysis of atom type and physicochemical property distributions (for calculated log
P, molar refractivity, molecular weight, total atom count, and ATD) of drug, lead, and nondrug
databases, a reassessment of the Ro5 (Rule of Five) and GVW (GhoseViswanadhan
Wendoloski) criteria, and development of new criteria and ranges more accurately reflecting the
chemical space occupied by small molecule drugs. A relative druglikeness parameter was defined
for atom types in drugs, identifying the most preferred types. The present work demonstrates
that drug molecules are constitutionally more diverse relative to nondrugs, while being less diverse than leads.
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2010
Qingping Zeng , Matthew P Bourbeau , G Erich Wohlhieter , Guomin Yao , Holger Monenschein , James T Rider , Matthew R Lee , Shiwen Zhang , Julie Lofgren , Daniel Freeman , Chun Li , Elizabeth Tominey , Xin Huang , Douglas Hoffman , Harvey Yamane , Andrew S Tasker , Celia Dominguez , Vellarkad N Viswanadhan , Randall Hungate , Xiaoling Zhang (2010) 2-Aminothiadiazole Inhibitors of AKT1 as Potential Cancer therapeutics Bioorg. & Med. Chem. Lett 20: 1652-1656 Abstract:
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Justin K Murray , Chenera Balan , Alan Allgeier , Annie Kasparian , Vellarkad N Viswanadhan , Christopher Wilde , Jennifer R Allen , Sean C Yoder , Gloria Biddlecome , Randall W Hungate , Les P Miranda (2010) Dipeptidyl-quinolone derivatives inhibit hypoxia inducible factor-1a prolyl hydroxylases-1, -2, and -3 with altered selectivity J Combi. Chem. 12: 676-686 Abstract:
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2008
Mike Frohn , Vellarkad N Viswanadhan , Alexander J Pickrell , Jennifer E Golden , Kristine M Muller , Roland W Bürli , Gloria Biddlecome , Sean C Yoder , Norma Rogers , Jennifer H Dao , Randall Hungate , Jennifer R Allen (2008) Structure-guided design of substituted aza-benzimidazoles as potent hypoxia inducible factor-1a prolyl hydroxylase-2 inhibitors Bioorg. & Med. Chem. Lett. 18: 5023-5026 Abstract:
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Christopher M Tegley , Vellarkad N Viswanadhan , Kaustav Biswas , Michael J Frohn , Tanya A N Peterkin , Catherine Chang , Roland W Bürli , Jennifer H Dao , Henrike Veith , Norma Rogers , Sean C Yoder , Gloria Biddlecome , Philip Tagari , R Allen a Jennifer , Randall W Hungate (2008) Discovery of novel hydroxy-thiazoles as HIF-a prolyl hydroxylase inhibitors: SAR, synthesis, and modeling evaluation Bioorg. & Med. Chem. Lett. 18: 4477-4481 Abstract:
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2007
Derin C D’Amico , Toshi Aya , Jason Human , Christopher Fotsch , Jian Jeffery Chen , Kaustav Biswas , Bobby Riahi , Mark H Norman , Christopher A Willoughby , Randall Hungate , Paul J Reider , Gloria Biddlecome , Diana Lester-Zeiner , Carlo Van Stadten , Eileen Johnson , Augustus Kamassah , Leila Arik , Judy Wang , Vellarkad N Viswanadhan , Robert D Groneburg , James Zhan , Hideo Suzuki , Andras Toro , David A Mareska , David E Clark , Darren M Harvey , Lawrence E Burgess , Ellen R Laird , Benny Askew , Gordon Ng (2007) Identification of a Non-peptidic and Conformationally Restricted Bradykinin B1 Receptor Antagonist with Rat Anti-inflammatory Activity J Med Chem 50: 607-610 Abstract:
Notes:
Mark H Norman , Jiawang Zhu , Christopher Fotsch , Yunxin Bo , Ning Chen , Partha Chakrabarti , Elizabeth Doherty , Narendar R Gavva , Nobuko Nishimura , Thomas Nixey , Vassil I Ognyanov , Robert M Rzasa , Markian Stec , Sekhar Surapaneni , Rami Tamir , Vellarkad N Viswanadhan , James J S Treanor (2007) Novel Vanilloid Receptor-1 Antagonists: 1. Conformationally Restricted Analogues of trans-cinnamides J Med Chem 50: 3497-3514 Abstract:
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Robert M Rzasa , Matthew R Kaller , Gang Liu , Ella Magal , Thomas T Nguyen , Timothy D Osslund , David Powers , Vincent J Santora , Vellarkad N Viswanadhan , Hui-Ling Wang , Xiaoling Xiong , Wenge Zhong , Mark H Norman (2007) Structure-Activity Relationships of 3,4-Dihydro-1H-quinazolin-2-one Derivatives as Potential CDK5 Inhibitors Bio-org. & Med. Chem 15: 6574-6595 Abstract:
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2006
Roland W Burli , Han Xu , Xiaoming Zou , Kristine Muller , Jennifer Golden , Michael Frohn , Matthew Adlam , Michele McElvain , Kelly Regal , Vellarkad N Viswanadhan , Philip Tagari , Randall Hungate (2006) Potent hFPRL1 Agonists as Potential Anti-Inflammatory Agents Bio-org. & Med. Chem. Lett 16: 3713-3718 Abstract:
Notes:
2005
Narendar R Gavva , L Klionsky , Y Qu , L Shi , Rami Tamir , Steve Edenson , T J Zhang , Vellarkad N Viswanadhan , Attila Toth , Larry V Pearce , Todd W Vanderah , Frank Porreca , Peter M Blumberg , Jack Lile , Yax Sun , Ken Wild , Jean-Claude Louis , James J S Treanor (2005) Molecular Determinants of Vanilloid Sensitivity in TRPV1 J Biol Chem 279: 20283-20295 Abstract:
Notes:
2004
Tae-Seong Kim , Andrew B Hague , Tony I Lee , Brian Lian , Chrostopher M Tegley , Xianghong Wang , Teresa L Burgess , Yi-Xin Qian , Sandra Ross , Philip Tagari , Chi-Hwei Lin , Carol Mayeda , Jennifer Dao , Steven Jordan , Christopher Mohr , Janet Cheetham , Vellarkad N Viswanadhan , Andrew S Tasker (2004) (4-Piperidinylphenyl)aminoethyl amides as a novel class of non- covalent cathepsin K inhibitors Bio-org. & Med. Chem. Lett 14: 87-90 Abstract:
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2002
2001
2000
1999
1998
1997
J N Weinstein , T G Myers , P M O’connor , S H Friend , Fornace , A J Jr , K W Kohn , T Fojo , S E Bates , L V Rubinstein , N L Anderson , J K Buolamwini , W W van osdol , A P Monks , D A Scuderio , E A Sausville , D W Zaharevitz , B Bunow , V N Viswanadhan , G S Johnson , R E Wittes , K D Paull (1997) An Information Intensive Approach to the Molecular Pharmacology of Cancer Science 275: 343-349 Abstract:
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1996
1994
J N Weinstein , T Myers , J Buolamwni , K Raghavan , W van Osdol , J Licht , V N Viswanadhan , K W Kohn , L V Rubinstein , A D Koutsoukos , A Monks , D A Scudiero , N L Anderson , D Zaharevitz , B A Chabner , M R Grever , K D Paull (1994) Predictive Statistics and Artificial Intelligence in the U.S. National Cancer Institute's Drug Discovery Program for Cancer and AIDS Stem Cells 12: 11-17 Abstract:
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1993
1992
John N Weinstein , Kurt W Kohn , Michael R Grever , Vellarkad N Viswanadhan , Lawrence V Rubinstein , Anne P Monks , Dominic A Scudiero , Lester Welch , Antonis D Koutsoukos , August J Chiausa , Kenneth D Paull (1992) Neural Computing in Cancer Drug Development: Predicting Mechanism of Action Science 258: 447-451 Abstract:
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1991
1990
1989
1988
1987
1986
Lawrence J Porter , Rosalind Y Wong , Mary Benson , Bock G Chan , V N Viswanadhan , Richard D Gandour , Wayne L Mattice (1986) Conformational Analysis Flavans: H1-N.m.r. and Molecular Mechanical (MM2) studies of the Benzpyran Ring of 3',4',5,7-Tetrahydroxyflavan-3-ol's: the Crystal and Molecular Stucture of the Procyanidin (2R,3S,4R)-3'4,5,7-Tetramethoxy-4-(2,4,6-trimethoxyphenyl) flavan-3-ol J. Chem. Res. (S), J. Chem. Res. (M) 86-87; 0830-0880 Abstract:
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1985
1984
1983
1982
1980
Book chapters
2001
1999
1985
1984
1982
PhD theses
1982
Masters theses
1977