BIOMAT Database Logo BIOMAT Database Logo

Synthesis and biological evaluations of sulfanyltriazoles as novel HIV-1 non-nucleoside reverse transcriptase inhibitors. 2006

Zhiwei Wang, and Baogen Wu, and Kelli L Kuhen, and Badry Bursulaya, and Truc N Nguyen, and Deborah G Nguyen, and Yun He
Genomics Institute of the Novartis Research Foundation (GNF), San Diego, CA 92121, USA.

A novel sulfanyltriazole was discovered as an HIV-1 non-nucleoside reverse transcriptase inhibitor via HTS using a cell-based assay. Chemical modifications and molecular modeling studies were carried out to establish its SAR and understand its interactions with the enzyme. These modifications led to the identification of sulfanyltriazoles with low nanomolar potency for inhibiting HIV-1 replication and promising activities against selected NNRTI resistant mutants. These novel and potent sulfanyltriazoles could serve as advanced leads for further optimization.

UI MeSH Term Description Entries
D008956 Models, Chemical Theoretical representations that simulate the behavior or activity of chemical processes or phenomena; includes the use of mathematical equations, computers, and other electronic equipment. Chemical Models,Chemical Model,Model, Chemical
D008958 Models, Molecular Models used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures. Molecular Models,Model, Molecular,Molecular Model
D009154 Mutation Any detectable and heritable change in the genetic material that causes a change in the GENOTYPE and which is transmitted to daughter cells and to succeeding generations. Mutations
D002626 Chemistry, Pharmaceutical Chemistry dealing with the composition and preparation of agents having PHARMACOLOGIC ACTIONS or diagnostic use. Medicinal Chemistry,Chemistry, Pharmaceutic,Pharmaceutic Chemistry,Pharmaceutical Chemistry,Chemistry, Medicinal
D004791 Enzyme Inhibitors Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. Enzyme Inhibitor,Inhibitor, Enzyme,Inhibitors, Enzyme
D013457 Sulfur Compounds Inorganic or organic compounds that contain sulfur as an integral part of the molecule. Sulfur Compound,Compound, Sulfur,Compounds, Sulfur
D013696 Temperature The property of objects that determines the direction of heat flow when they are placed in direct thermal contact. The temperature is the energy of microscopic motions (vibrational and translational) of the particles of atoms. Temperatures
D014230 Triazoles Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3. Triazole
D014779 Virus Replication The process of intracellular viral multiplication, consisting of the synthesis of PROTEINS; NUCLEIC ACIDS; and sometimes LIPIDS, and their assembly into a new infectious particle. Viral Replication,Replication, Viral,Replication, Virus,Replications, Viral,Replications, Virus,Viral Replications,Virus Replications
D015195 Drug Design The molecular designing of drugs for specific purposes (such as DNA-binding, enzyme inhibition, anti-cancer efficacy, etc.) based on knowledge of molecular properties such as activity of functional groups, molecular geometry, and electronic structure, and also on information cataloged on analogous molecules. Drug design is generally computer-assisted molecular modeling and does not include PHARMACOKINETICS, dosage analysis, or drug administration analysis. Computer-Aided Drug Design,Computerized Drug Design,Drug Modeling,Pharmaceutical Design,Computer Aided Drug Design,Computer-Aided Drug Designs,Computerized Drug Designs,Design, Pharmaceutical,Drug Design, Computer-Aided,Drug Design, Computerized,Drug Designs,Drug Modelings,Pharmaceutical Designs

Related Publications

Zhiwei Wang, and Baogen Wu, and Kelli L Kuhen, and Badry Bursulaya, and Truc N Nguyen, and Deborah G Nguyen, and Yun He
Design, synthesis, and biological evaluations of novel quinolones as HIV-1 non-nucleoside reverse transcriptase inhibitors.
August 2006, Bioorganic & medicinal chemistry letters,
Zhiwei Wang, and Baogen Wu, and Kelli L Kuhen, and Badry Bursulaya, and Truc N Nguyen, and Deborah G Nguyen, and Yun He
Design, synthesis and biological evaluations of novel oxindoles as HIV-1 non-nucleoside reverse transcriptase inhibitors. Part I.
April 2006, Bioorganic & medicinal chemistry letters,
Zhiwei Wang, and Baogen Wu, and Kelli L Kuhen, and Badry Bursulaya, and Truc N Nguyen, and Deborah G Nguyen, and Yun He
Design, synthesis, and biological evaluations of novel oxindoles as HIV-1 non-nucleoside reverse transcriptase inhibitors. Part 2.
April 2006, Bioorganic & medicinal chemistry letters,
Zhiwei Wang, and Baogen Wu, and Kelli L Kuhen, and Badry Bursulaya, and Truc N Nguyen, and Deborah G Nguyen, and Yun He
Synthesis and biological evaluation of imidazole thioacetanilides as novel non-nucleoside HIV-1 reverse transcriptase inhibitors.
August 2009, Bioorganic & medicinal chemistry,
Zhiwei Wang, and Baogen Wu, and Kelli L Kuhen, and Badry Bursulaya, and Truc N Nguyen, and Deborah G Nguyen, and Yun He
Synthesis and biological evaluation of aryl-phospho-indole as novel HIV-1 non-nucleoside reverse transcriptase inhibitors.
January 2011, Journal of medicinal chemistry,
Zhiwei Wang, and Baogen Wu, and Kelli L Kuhen, and Badry Bursulaya, and Truc N Nguyen, and Deborah G Nguyen, and Yun He
Novel benzophenones as non-nucleoside reverse transcriptase inhibitors of HIV-1.
February 2004, Journal of medicinal chemistry,
Zhiwei Wang, and Baogen Wu, and Kelli L Kuhen, and Badry Bursulaya, and Truc N Nguyen, and Deborah G Nguyen, and Yun He
Synthesis and biological evaluation of CHX-DAPYs as HIV-1 non-nucleoside reverse transcriptase inhibitors.
June 2014, Bioorganic & medicinal chemistry,
Zhiwei Wang, and Baogen Wu, and Kelli L Kuhen, and Badry Bursulaya, and Truc N Nguyen, and Deborah G Nguyen, and Yun He
Non-nucleoside HIV-1 reverse transcriptase inhibitors: synthesis and biological evaluation of novel quinoxalinylethylpyridylthioureas as potent antiviral agents.
March 2000, Antiviral chemistry & chemotherapy,
Zhiwei Wang, and Baogen Wu, and Kelli L Kuhen, and Badry Bursulaya, and Truc N Nguyen, and Deborah G Nguyen, and Yun He
Synthesis and biological evaluation of (±)-benzhydrol derivatives as potent non-nucleoside HIV-1 reverse transcriptase inhibitors.
August 2011, Bioorganic & medicinal chemistry,
Zhiwei Wang, and Baogen Wu, and Kelli L Kuhen, and Badry Bursulaya, and Truc N Nguyen, and Deborah G Nguyen, and Yun He
Synthesis of novel uracil non-nucleoside derivatives as potential reverse transcriptase inhibitors of HIV-1.
November 2009, Archiv der Pharmazie,
Copied contents to your clipboard!