Literature DB >> 20096804

Therapeutic strategies underpinning the development of novel techniques for the treatment of HIV infection.

Jian J Tan1, Xiao J Cong, Li M Hu, Cun X Wang, Lee Jia, Xing-Jie Liang.   

Abstract

The HIV replication cycle offers multiple targets for chemotherapeutic intervention, including the viral exterior envelope glycoprotein, gp120; viral co-receptors CXCR4 and CCR5; transmembrane glycoprotein, gp41; integrase; reverse transcriptase; protease and so on. Most currently used anti-HIV drugs are reverse transcriptase inhibitors or protease inhibitors. The expanding application of simulation to drug design combined with experimental techniques have developed a large amount of novel inhibitors that interact specifically with targets besides transcriptase and protease. This review presents details of the anti-HIV inhibitors discovered with computer-aided approaches and provides an overview of the recent five-year achievements in the treatment of HIV infection and the application of computational methods to current drug design. 2010 Elsevier Ltd. All rights reserved.

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Year:  2010        PMID: 20096804      PMCID: PMC2910421          DOI: 10.1016/j.drudis.2010.01.004

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN: 1359-6446            Impact factor:   7.851


  113 in total

1.  Binding of the second generation non-nucleoside inhibitor S-1153 to HIV-1 reverse transcriptase involves extensive main chain hydrogen bonding.

Authors:  J Ren; C Nichols; L E Bird; T Fujiwara; H Sugimoto; D I Stuart; D K Stammers
Journal:  J Biol Chem       Date:  2000-05-12       Impact factor: 5.157

2.  Rational design of inhibitors of HIV-1 TAR RNA through the stabilisation of electrostatic "hot spots".

Authors:  Ben Davis; Mohammad Afshar; Gabriele Varani; Alastair I H Murchie; Jonathan Karn; Georg Lentzen; Martin Drysdale; Justin Bower; Andrew J Potter; Ian D Starkey; Terry Swarbrick; Fareed Aboul-ela
Journal:  J Mol Biol       Date:  2004-02-13       Impact factor: 5.469

3.  Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41.

Authors:  Kun Liu; Hong Lu; Ling Hou; Zhi Qi; Cátia Teixeira; Florent Barbault; Bo-Tao Fan; Shuwen Liu; Shibo Jiang; Lan Xie
Journal:  J Med Chem       Date:  2008-12-25       Impact factor: 7.446

4.  Fragment-based computation of binding free energies by systematic sampling.

Authors:  Matthew Clark; Siavash Meshkat; George T Talbot; Paolo Carnevali; Jeffrey S Wiseman
Journal:  J Chem Inf Model       Date:  2009-08       Impact factor: 4.956

5.  Beta-diketo acid pharmacophore hypothesis. 1. Discovery of a novel class of HIV-1 integrase inhibitors.

Authors:  Raveendra Dayam; Tino Sanchez; Omoshile Clement; Robert Shoemaker; Shizuko Sei; Nouri Neamati
Journal:  J Med Chem       Date:  2005-01-13       Impact factor: 7.446

6.  Genotypic correlates of phenotypic resistance to efavirenz in virus isolates from patients failing nonnucleoside reverse transcriptase inhibitor therapy.

Authors:  L Bacheler; S Jeffrey; G Hanna; R D'Aquila; L Wallace; K Logue; B Cordova; K Hertogs; B Larder; R Buckery; D Baker; K Gallagher; H Scarnati; R Tritch; C Rizzo
Journal:  J Virol       Date:  2001-06       Impact factor: 5.103

Review 7.  Computations of standard binding free energies with molecular dynamics simulations.

Authors:  Yuqing Deng; Benoît Roux
Journal:  J Phys Chem B       Date:  2009-02-26       Impact factor: 2.991

Review 8.  Goals and milestones during treatment of HIV-1 infection with antiretroviral therapy: a pathogenesis-based perspective.

Authors:  Michael Louie; Martin Markowitz
Journal:  Antiviral Res       Date:  2002-07       Impact factor: 5.970

9.  Data mining using template-based molecular docking on tetrahydroimidazo-[4,5,1-jk][1,4]-benzodiazepinone (TIBO) derivatives as HIV-1RT inhibitors.

Authors:  Nitin S Sapre; Swagata Gupta; Nilanjana Pancholi; Neelima Sapre
Journal:  J Mol Model       Date:  2008-07-19       Impact factor: 1.810

10.  3D-QSAR studies of substituted 1-(3, 3-diphenylpropyl)-piperidinyl amides and ureas as CCR5 receptor antagonists.

Authors:  Yogesh D Aher; Avantika Agrawal; Prasad V Bharatam; Prabha Garg
Journal:  J Mol Model       Date:  2007-02-16       Impact factor: 1.810

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  15 in total

1.  Correlation between biological activity and binding energy in systems of integrin with cyclic RGD-containing binders: a QM/MM molecular dynamics study.

Authors:  Mingli Xiang; Yuchun Lin; Gu He; Lijuan Chen; Mingli Yang; Shengyong Yang; Yirong Mo
Journal:  J Mol Model       Date:  2012-06-27       Impact factor: 1.810

Review 2.  Identification of HIV inhibitors guided by free energy perturbation calculations.

Authors:  Orlando Acevedo; Zandrea Ambrose; Patrick T Flaherty; Hadega Aamer; Prashi Jain; Somisetti V Sambasivarao
Journal:  Curr Pharm Des       Date:  2012       Impact factor: 3.116

Review 3.  Computational drug discovery.

Authors:  Si-Sheng Ou-Yang; Jun-Yan Lu; Xiang-Qian Kong; Zhong-Jie Liang; Cheng Luo; Hualiang Jiang
Journal:  Acta Pharmacol Sin       Date:  2012-08-27       Impact factor: 6.150

Review 4.  From the chemistry of epoxy-sugar nucleosides to the discovery of anti-HIV agent 4'-ethynylstavudine-Festinavir.

Authors:  Kazuhiro Haraguchi; Shingo Takeda; Yutaka Kubota; Hiroki Kumamoto; Hiromichi Tanaka; Takayuki Hamasaki; Masanori Baba; Elijah Paintsil; Yung-Chi Cheng
Journal:  Curr Pharm Des       Date:  2013       Impact factor: 3.116

5.  Substituent effects on molecular properties of dicarba-closo-dodecarborane derivatives.

Authors:  Georgia M A Junqueira; Fernando Sato
Journal:  J Mol Model       Date:  2014-06-17       Impact factor: 1.810

6.  Cyclodepsipeptides from marine sponges: natural agents for drug research.

Authors:  Gowri Shankar Bagavananthem Andavan; Rosa Lemmens-Gruber
Journal:  Mar Drugs       Date:  2010-03-22       Impact factor: 5.118

7.  The (5Z)-5-Pentacosenoic and 5-Pentacosynoic Acids Inhibit the HIV-1 Reverse Transcriptase.

Authors:  Lizabeth Giménez Moreira; Elsie A Orellano; Karolyna Rosado; Rafael V C Guido; Adriano D Andricopulo; Gabriela Ortiz Soto; José W Rodríguez; David J Sanabria-Ríos; Néstor M Carballeira
Journal:  Lipids       Date:  2015-09-07       Impact factor: 1.880

Review 8.  Applications of artificial intelligence to drug design and discovery in the big data era: a comprehensive review.

Authors:  Neetu Tripathi; Manoj Kumar Goshisht; Sanat Kumar Sahu; Charu Arora
Journal:  Mol Divers       Date:  2021-06-10       Impact factor: 2.943

9.  Molecular docking studies of marine diterpenes as inhibitors of wild-type and mutants HIV-1 reverse transcriptase.

Authors:  Leonardo A Miceli; Valéria L Teixeira; Helena C Castro; Carlos R Rodrigues; Juliana F R Mello; Magaly G Albuquerque; Lucio M Cabral; Monique A de Brito; Alessandra M T de Souza
Journal:  Mar Drugs       Date:  2013-10-29       Impact factor: 5.118

10.  Density functional theory study of the local molecular properties of acetamide derivatives as anti-HIV drugs.

Authors:  M Oftadeh; N Madadi Mahani; M Hamadanian
Journal:  Res Pharm Sci       Date:  2013-10
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