HIV-1 NNRTIs: structural diversity, pharmacophore similarity, and impliations for drug design

Phase 2a Randomized Controlled Trial of Short-Term Activity, Safety, and Pharmacokinetics of a Novel Nonnucleoside Reverse Transcriptase Inhibitor, RDEA806, in HIV-1-Positive, Antiretroviral-Naive Subjects

(2010) G. Moyle et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Lersivirine, a Nonnucleoside Reverse Transcriptase Inhibitor with Activity against Drug-Resistant Human Immunodeficiency Virus Type 1

(2010) R. Corbau et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Anti-AIDS agents 84. Synthesis and anti-human immunodeficiency virus (HIV) activity of 2′-monomethyl-4-methyl- and 1′-thia-4-methyl-(3′R,4′R)-3′,4′-di-O-(S)-camphanoyl-(+)-cis-khellactone (DCK) analogs☆

(2010) Shi-Qing Xu et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Pharmacophore and structure–activity relationships of integrase inhibition within a dual inhibitor scaffold of HIV reverse transcriptase and integrase

(2010) Zhengqiang Wang et al.   BIOORGANIC & MEDICINAL CHEMISTRY

N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase

(2010) Michael L. Mitchell et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

N1-Heterocyclic pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase

(2010) Michael L. Mitchell et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Eastern extension of azoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase; cyano group alternatives

(2010) Cheryl S. Leung et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Biaryl ethers as potent allosteric inhibitors of reverse transcriptase and its key mutant viruses: Aryl substituted pyrazole as a surrogate for the pyrazolopyridine motif

(2010) Dai-Shi Su et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Exploration of piperidine-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-Phenyl derivatives with broad potency against resistant mutant viruses

(2010) Guozhi Tang et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-Benzyl derivatives with broad potency against resistant mutant viruses

(2010) Denis J. Kertesz et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

1,2,3-Thiadiazole Thioacetanilides. Part 2

(2010) Peng Zhan et al.   CHEMISTRY & BIODIVERSITY

Diarylaniline Derivatives as a Distinct Class of HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors

(2010) Bingjie Qin et al.   JOURNAL OF MEDICINAL CHEMISTRY

Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design

(2010) Eric B. Lansdon et al.   JOURNAL OF MEDICINAL CHEMISTRY

Highly Suppressing Wild-Type HIV-1 and Y181C Mutant HIV-1 Strains by 10-Chloromethyl-11-demethyl-12-oxo-calanolide A with Druggable Profile

(2010) Hai Xue et al.   JOURNAL OF MEDICINAL CHEMISTRY

Nitrile-Containing Pharmaceuticals: Efficacious Roles of the Nitrile Pharmacophore

(2010) Fraser F. Fleming et al.   JOURNAL OF MEDICINAL CHEMISTRY

Cosalane and its Analogues: A Unique Class of Anti-HIV Agents

(2010) Peng Zhan et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Virtual screening: an endless staircase?

(2010) Gisbert Schneider   NATURE REVIEWS DRUG DISCOVERY

Synthesis and biological activity of new pyridone diaryl ether non-nucleoside inhibitors of HIV-1 reverse transcriptase

(2010) Joshua J. Kennedy-Smith et al.   MedChemComm

Efficient Drug Lead Discovery and Optimization

(2009) William L. Jorgensen   ACCOUNTS OF CHEMICAL RESEARCH

Activity, pharmacokinetics and safety of lersivirine (UK-453,061), a next-generation nonnucleoside reverse transcriptase inhibitor, during 7-day monotherapy in HIV-1-infected patients

(2009) Gerd Fätkenheuer et al.   AIDS

Single-Dose Escalation and Multiple-Dose Safety, Tolerability, and Pharmacokinetics of IDX899, a Candidate Human Immunodeficiency Virus Type 1 Nonnucleoside Reverse Transcriptase Inhibitor, in Healthy Subjects

(2009) X.-J. Zhou et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Non-nucleoside reverse transcriptase inhibitors (NNRTIs), their discovery, development, and use in the treatment of HIV-1 infection: A review of the last 20 years (1989–2009)

(2009) Marie-Pierre de Béthune   ANTIVIRAL RESEARCH

Synthesis and biological evaluation of imidazole thioacetanilides as novel non-nucleoside HIV-1 reverse transcriptase inhibitors

(2009) Peng Zhan et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Novel 1,2,3-thiadiazole derivatives as HIV-1 NNRTIs with improved potency: Synthesis and preliminary SAR studies

(2009) Peng Zhan et al.   BIOORGANIC & MEDICINAL CHEMISTRY

1,2,3-Selenadiazole thioacetanilides: Synthesis and anti-HIV activity evaluation

(2009) Peng Zhan et al.   BIOORGANIC & MEDICINAL CHEMISTRY

The search for potent, small molecule NNRTIs: A review

(2009) Dhaval G. Prajapati et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Pyrazole NNRTIs 1: Design and initial optimisation of a novel template

(2009) Charles E. Mowbray et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Substituted tetrahydroquinolines as potent allosteric inhibitors of reverse transcriptase and its key mutants

(2009) Dai-Shi Su et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Pyrazole NNRTIs 4: Selection of UK-453,061 (lersivirine) as a Development Candidate

(2009) Charles E. Mowbray et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Pyrazole NNRTIs 3: Optimisation of physicochemical properties

(2009) Charles E. Mowbray et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Discovery of diarylpyridine derivatives as novel non-nucleoside HIV-1 reverse transcriptase inhibitors

(2009) Xingtao Tian et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

In SilicoScreening for Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors Using Physicochemical Filters and High-Throughput Docking Followed byIn VitroEvaluation

(2009) Yasser Bustanji et al.   Chemical Biology & Drug Design

Design, Synthesis, and SAR of Naphthyl-Substituted Diarylpyrimidines as Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase

(2009) Yong-Hong Liang et al.   ChemMedChem

Recent Advances in NNRTI Design: Computer-Aided Molecular Design Approaches

(2009) Pornpan Pungpo et al.   Current Computer-Aided Drug Design

Recent Advances in the Discovery and Development of Novel HIV-1 NNRTI Platforms: 2006-2008 Update

(2009) Peng Zhan et al.   CURRENT MEDICINAL CHEMISTRY

Design Strategies of Novel NNRTIs to Overcome Drug Resistance

(2009) Peng Zhan et al.   CURRENT MEDICINAL CHEMISTRY

Computational Analysis of Human Immunodeficiency Virus (HIV) Type-1 Reverse Transcriptase Crystallographic Models Based on Significant Conserved Residues Found in Highly Active Antiretroviral Therapy (HAART)-Treated Patients (Supplementary Material)

(2009) Stefano Alcaro et al.   CURRENT MEDICINAL CHEMISTRY

Designed Multiple Ligands: An Emerging Anti-HIV Drug Discovery Paradigm

(2009) Peng Zhan et al.   CURRENT PHARMACEUTICAL DESIGN

Designing Multiple Ligands – Medicinal Chemistry Strategies and Challenges

(2009) Richard Morphy et al.   CURRENT PHARMACEUTICAL DESIGN

Managing protein flexibility in docking and its applications

(2009) Chandrika B-Rao et al.   DRUG DISCOVERY TODAY

Synthesis and anti-HIV activity evaluation of 2-(4-(naphthalen-2-yl)-1,2,3-thiadiazol-5-ylthio)-N-acetamides as novel non-nucleoside HIV-1 reverse transcriptase inhibitors

(2009) Peng Zhan et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Discovery of Wild-Type and Y181C Mutant Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors Using Virtual Screening with Multiple Protein Structures

(2009) Sara E. Nichols et al.   Journal of Chemical Information and Modeling

Crystallographic Study of a Novel Subnanomolar Inhibitor Provides Insight on the Binding Interactions of Alkenyldiarylmethanes with Human Immunodeficiency Virus-1 Reverse Transcriptase

(2009) Matthew D. Cullen et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of Chiral Cyclopropyl Dihydro-Alkylthio-Benzyl-Oxopyrimidine (S-DABO) Derivatives as Potent HIV-1 Reverse Transcriptase Inhibitors with High Activity Against Clinically Relevant Mutants

(2009) Marco Radi et al.   JOURNAL OF MEDICINAL CHEMISTRY

Indolylarylsulfones Bearing Natural and Unnatural Amino Acids. Discovery of Potent Inhibitors of HIV-1 Non-Nucleoside Wild Type and Resistant Mutant Strains Reverse Transcriptase and Coxsackie B4 Virus

(2009) Francesco Piscitelli et al.   JOURNAL OF MEDICINAL CHEMISTRY

Novel Indazole Non-Nucleoside Reverse Transcriptase Inhibitors Using Molecular Hybridization Based on Crystallographic Overlays†

(2009) Lyn H. Jones et al.   JOURNAL OF MEDICINAL CHEMISTRY

Another ten stories in antiviral drug discovery (part C): “Old” and “new” antivirals, strategies, and perspectives

(2009) Erik De Clercq   MEDICINAL RESEARCH REVIEWS

The next ten stories on antiviral drug discovery (part E): advents, advances, and adventures

(2009) Erik De Clercq   MEDICINAL RESEARCH REVIEWS

Fragment-based ligand discovery

(2009) M. Fischer et al.   MOLECULAR INTERVENTIONS

Design and synthesis of dual inhibitors of HIV reverse transcriptase and integrase: Introducing a diketoacid functionality into delavirdine

(2008) Zhengqiang Wang et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Orally bioavailable prodrugs of a BCS class 2 molecule, an inhibitor of HIV-1 reverse transcriptase

(2008) Todd R. Elworthy et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase

(2008) Zachary K. Sweeney et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Discovery of triazolinone non-nucleoside inhibitors of HIV reverse transcriptase

(2008) Zachary K. Sweeney et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Synthesis of pyrimidine and quinolone conjugates as a scaffold for dual inhibitors of HIV reverse transcriptase and integrase

(2008) Zhengqiang Wang et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

1,2,3-Thiadiazole thioacetanilides as a novel class of potent HIV-1 non-nucleoside reverse transcriptase inhibitors

(2008) Peng Zhan et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations

(2008) Thomas J. Tucker et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Investigation on the role of the tetrazole in the binding of thiotetrazolylacetanilides with HIV-1 wild type and K103N/Y181C double mutant reverse transcriptases

(2008) Alexandre Gagnon et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Polyvalency: A promising strategy for drug design

(2008) David Vance et al.   BIOTECHNOLOGY AND BIOENGINEERING

Optimization of 5-Aryloxyimidazole Non-Nucleoside Reverse Transcriptase Inhibitors

(2008) Lyn H. Jones et al.   ChemMedChem

Structural Modifications of DAPY Analogues with Potent Anti-HIV-1 Activity

(2008) Xiao-Qing Feng et al.   ChemMedChem

Diphenyl Ether Non-Nucleoside Reverse Transcriptase Inhibitors with Excellent Potency Against Resistant Mutant Viruses and Promising Pharmacokinetic Properties

(2008) Zachary K. Sweeney et al.   ChemMedChem

The Current Status of the NNRTI Family of Antiretrovirals Used Against HIV Infection

(2008) Silvia Martins et al.   CURRENT MEDICINAL CHEMISTRY

Synthesis of alkenyldiarylmethanes (ADAMs) containing benzo[d]isoxazole and oxazolidin-2-one rings, a new series of potent non-nucleoside HIV-1 reverse transcriptase inhibitors

(2008) Bo-Liang Deng et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Etravirine for the treatment of HIV infection

(2008) E Seminari et al.   Expert Review of Anti-Infective Therapy

Scaffold Hopping in Drug Discovery Using Inductive Logic Programming

(2008) Kazuhisa Tsunoyama et al.   Journal of Chemical Information and Modeling

Development and Preclinical Studies of Broad-Spectrum Anti-HIV Agent (3′R,4′R)-3-Cyanomethyl-4-methyl-3′,4′-di-O-(S)-camphanoyl-(+)-cis-khellactone (3-Cyanomethyl-4-methyl-DCK)

(2008) Lan Xie et al.   JOURNAL OF MEDICINAL CHEMISTRY

5-Alkyl-6-benzyl-2-(2-oxo-2-phenylethylsulfanyl)pyrimidin-4(3H)-ones, a Series of Anti-HIV-1 Agents of the Dihydro-alkoxy-benzyl-oxopyrimidine Family with Peculiar Structure−Activity Relationship Profile

(2008) Maxim B. Nawrozkij et al.   JOURNAL OF MEDICINAL CHEMISTRY

Virtual Screening, Identification, and Biochemical Characterization of Novel Inhibitors of the Reverse Transcriptase of Human Immunodeficiency Virus Type-1

(2008) Alon Herschhorn et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses

(2008) Thomas J. Tucker et al.   JOURNAL OF MEDICINAL CHEMISTRY

Design of Annulated Pyrazoles as Inhibitors of HIV-1 Reverse Transcriptase∥

(2008) Zachary K. Sweeney et al.   JOURNAL OF MEDICINAL CHEMISTRY

Target Flexibility: An Emerging Consideration in Drug Discovery and Design†

(2008) Pietro Cozzini et al.   JOURNAL OF MEDICINAL CHEMISTRY

Optimization of Azoles as Anti-Human Immunodeficiency Virus Agents Guided by Free-Energy Calculations

(2008) Jacob G. Zeevaart et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design

(2008) Joseph D. Bauman et al.   NUCLEIC ACIDS RESEARCH

High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations

(2008) K. Das et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structural basis for drug resistance mechanisms for non-nucleoside inhibitors of HIV reverse transcriptase

(2008) Jingshan Ren et al.   VIRUS RESEARCH

Mechanism of Inhibition of HIV-1 Reverse Transcriptase by the Novel Broad-Range DNA Polymerase InhibitorN-{2-[4-(Aminosulfonyl)phenyl]ethyl}-2-(2-thienyl)acetamide†,‡

(2007) Alon Herschhorn et al.   BIOCHEMISTRY

Thiocarbamates as non-nucleoside HIV-1 reverse transcriptase inhibitors. Part 1: Parallel synthesis, molecular modelling and structure–activity relationship studies on O-[2-(hetero)arylethyl]-N-phenylthiocarbamates

(2007) Sara Cesarini et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Novel indole-3-sulfonamides as potent HIV non-nucleoside reverse transcriptase inhibitors (NNRTIs)

(2007) Zhijian Zhao et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

SAR and QSAR studies: Modelling of new DAPY derivatives

(2007) Abhilash Thakur et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

In silico screening of HIV-1 non-nucleoside reverse transcriptase and protease inhibitors

(2007) Andrei Leitão et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY