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Das K

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Publications:

Title Authors Year Journal
On the detection of multiple-binding modes of ligands to proteins, from biological, structural, and modeling data. Das K Journal of computer-aided molecular design
Molecular dynamics study of HIV-1 RT-DNA-Nevirapine complexes explains NNRTI inhibition, and resistance by connection mutations. Das K 2013 Proteins
Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility. Das K 2013 Bioorganic & medicinal chemistry letters
HIV-1 reverse transcriptase and antiviral drug resistance. Part 2. Das K 2013 Current opinion in virology
Detecting allosteric sites of HIV-1 reverse transcriptase by X-ray crystallographic fragment screening. Das K 2013 Journal of medicinal chemistry
Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase. Das K 2013 Nature chemistry
HIV-1 reverse transcriptase and antiviral drug resistance. Part 1. Das K 2013 Current opinion in virology
A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants. Das K 2012 Retrovirology
HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism. Das K 2012 Nature structural & molecular biology
Crystal structure of tert-butyldimethylsilyl-spiroaminooxathioledioxide-thymine (TSAO-T) in complex with HIV-1 reverse transcriptase (RT) redefines the elastic limits of the non-nucleoside inhibitor-binding pocket. Das K 2011 Journal of medicinal chemistry
Structural basis of HIV-1 resistance to AZT by excision. Das K 2010 Nature structural & molecular biology
Structural basis for the role of the K65R mutation in HIV-1 reverse transcriptase polymerization, excision antagonism, and tenofovir resistance. Das K 2009 The Journal of biological chemistry
Structure and function of HIV-1 reverse transcriptase: molecular mechanisms of polymerization and inhibition. Das K 2009 Journal of molecular biology
Conformational landscape of the human immunodeficiency virus type 1 reverse transcriptase non-nucleoside inhibitor binding pocket: lessons for inhibitor design from a cluster analysis of many crystal structures. Das K 2009 Journal of medicinal chemistry
Mutations in the thumb allow human immunodeficiency virus type 1 reverse transcriptase to be cleaved by protease in virions. Das K 2009 Journal of virology
Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site. Das K 2009 Structure (London, England : 1993)
Crystallographic study of a novel subnanomolar inhibitor provides insight on the binding interactions of alkenyldiarylmethanes with human immunodeficiency virus-1 reverse transcriptase. Das K 2009 J Med Chem
Two-dimensional infrared spectra reveal relaxation of the nonnucleoside inhibitor TMC278 complexed with HIV-1 reverse transcriptase. Das K 2008 Proceedings of the National Academy of Sciences of the United States of America
Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design. Das K 2008 Nucleic acids research
High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: strategic flexibility explains potency against resistance mutations. Das K 2008 Proceedings of the National Academy of Sciences of the United States of America
Crystal structures of clinically relevant Lys103Asn/Tyr181Cys double mutant HIV-1 reverse transcriptase in complexes with ATP and non-nucleoside inhibitor HBY 097. Das K 2007 Journal of molecular biology
Synthesis, biological activity, and crystal structure of potent nonnucleoside inhibitors of HIV-1 reverse transcriptase that retain activity against mutant forms of the enzyme. Das K 2007 Journal of medicinal chemistry
Crystallography and the design of anti-AIDS drugs: conformational flexibility and positional adaptability are important in the design of non-nucleoside HIV-1 reverse transcriptase inhibitors. Das K 2005 Progress in biophysics and molecular biology
4-Benzyl and 4-benzoyl-3-dimethylaminopyridin-2(1H)-ones: in vitro evaluation of new C-3-amino-substituted and C-5,6-alkyl-substituted analogues against clinically important HIV mutant strains. Das K 2005 Journal of medicinal chemistry
Design, synthesis, and SAR of a novel pyrazinone series with non-nucleoside HIV-1 reverse transcriptase inhibitory activity. Das K 2005 Journal of medicinal chemistry
Synthesis of novel diarylpyrimidine analogues and their antiviral activity against human immunodeficiency virus type 1. Das K 2005 Journal of medicinal chemistry
In search of a novel anti-HIV drug: multidisciplinary coordination in the discovery of 4-[[4-[[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2- pyrimidinyl]amino]benzonitrile (R278474, rilpivirine). Das K 2005 J Med Chem
Concentration and pH dependent aggregation of hydrophobic drug molecules and relevance to oral bioavailability. Das K 2005 J Med Chem
Crystal structures for HIV-1 reverse transcriptase in complexes with three pyridinone derivatives: a new class of non-nucleoside inhibitors effective against a broad range of drug-resistant strains. Das K 2005 J Med Chem
Correlations between factors determining the pharmacokinetics and antiviral activity of HIV-1 non-nucleoside reverse transcriptase inhibitors of the diaryltriazine and diarylpyrimidine classes of compounds. Das K 2004 Drugs in R&D
Roles of conformational and positional adaptability in structure-based design of TMC125-R165335 (etravirine) and related non-nucleoside reverse transcriptase inhibitors that are highly potent and effective against wild-type and drug-resistant HIV-1 variants. Das K 2004 J Med Chem
Taking aim at a moving target: designing drugs to inhibit drug-resistant HIV-1 reverse transcriptases. Das K 2004 Current opinion in structural biology
The hepatitis B virus polymerase mutation rtV173L is selected during lamivudine therapy and enhances viral replication in vitro. Das K 2003 Journal of virology
Structures of HIV-1 reverse transcriptase with pre- and post-translocation AZTMP-terminated DNA. Das K 2002 The EMBO journal
Crystal structure of HIV-1 reverse transcriptase in complex with a polypurine tract RNA:DNA. Das K 2001 The EMBO journal
HIV-1 reverse transcriptase mutations found in a drug-experienced patient confer reduced susceptibility to multiple nucleoside reverse transcriptase inhibitors. Das K 2001 Antiviral therapy
Molecular modeling and biochemical characterization reveal the mechanism of hepatitis B virus polymerase resistance to lamivudine (3TC) and emtricitabine (FTC). Das K 2001 J Virol
The Lys103Asn mutation of HIV-1 RT: a novel mechanism of drug resistance. Das K 2001 Journal of molecular biology
Evolution of anti-HIV drug candidates. Part 2: Diaryltriazine (DATA) analogues. Das K 2001 Bioorganic & medicinal chemistry letters
Evolution of anti-HIV drug candidates. Part 3: Diarylpyrimidine (DAPY) analogues. Das K 2001 Bioorganic & medicinal chemistry letters
Lamivudine (3TC) resistance in HIV-1 reverse transcriptase involves steric hindrance with beta-branched amino acids. Das K 1999 Proceedings of the National Academy of Sciences of the United States of America
Touching the heart of HIV-1 drug resistance: the fingers close down on the dNTP at the polymerase active site. Das K 1999 Chemistry & biology
Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance. Das K 1998 Journal of molecular biology
Structure and functional implications of the polymerase active site region in a complex of HIV-1 RT with a double-stranded DNA template-primer and an antibody Fab fragment at 2.8 A resolution. Das K 1998 Journal of molecular biology
Multiple biological roles associated with the Rous sarcoma virus 5' untranslated RNA U5-IR stem and loop. Das K 1997 Journal of virology
Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant. Das K 1996 Journal of molecular biology
Targeting HIV reverse transcriptase for anti-AIDS drug design: structural and biological considerations for chemotherapeutic strategies. Das K 1996 Drug design and discovery
Structure of unliganded HIV-1 reverse transcriptase at 2.7 A resolution: implications of conformational changes for polymerization and inhibition mechanisms. Das K 1996 Structure (London, England : 1993)
Structure of HIV-1 reverse transcriptase in a complex with the non-nucleoside inhibitor alpha-APA R 95845 at 2.8 A resolution. Das K 1995 Structure (London, England : 1993)
Structure of HIV-1 RT/TIBO R 86183 complex reveals similarity in the binding of diverse nonnucleoside inhibitors. Das K 1995 Nat Struct Biol
Stimulation of DNA chain initiation by a protein factor (NPF-1) from rat liver of different ages. Das K 1989 Progress in clinical and biological research

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