Literature DB >> 17804437

Identification of potential HIV-1 targets of minocycline.

Ekachai Jenwitheesuk1, Ram Samudrala.   

Abstract

Minocycline, a broad spectrum antibiotic, has been discovered to have inhibitory activity against HIV-1 in vitro, but the targets inhibited are unknown. We used a docking with dynamics protocol developed by us to predict the binding affinities of minocycline against seven active sites of five HIV-1 proteins to putatively identify the potential target(s) of minocycline. The results indicate that minocycline has the highest predicted binding affinity against HIV-1 integrase.

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Year:  2007        PMID: 17804437     DOI: 10.1093/bioinformatics/btm424

Source DB:  PubMed          Journal:  Bioinformatics        ISSN: 1367-4803            Impact factor:   6.937


  8 in total

Review 1.  Novel paradigms for drug discovery: computational multitarget screening.

Authors:  Ekachai Jenwitheesuk; Jeremy A Horst; Kasey L Rivas; Wesley C Van Voorhis; Ram Samudrala
Journal:  Trends Pharmacol Sci       Date:  2008-01-10       Impact factor: 14.819

2.  Minocycline attenuates HIV-1 infection and suppresses chronic immune activation in humanized NOD/LtsZ-scidIL-2Rγ(null) mice.

Authors:  Maneesh Singh; Pratibha Singh; Dolores Vaira; Mathieu Amand; Souad Rahmouni; Michel Moutschen
Journal:  Immunology       Date:  2014-08       Impact factor: 7.397

Review 3.  CANDO and the infinite drug discovery frontier.

Authors:  Mark Minie; Gaurav Chopra; Geetika Sethi; Jeremy Horst; George White; Ambrish Roy; Kaushik Hatti; Ram Samudrala
Journal:  Drug Discov Today       Date:  2014-06-26       Impact factor: 7.851

4.  Proton magnetic resonance spectroscopy reveals neuroprotection by oral minocycline in a nonhuman primate model of accelerated NeuroAIDS.

Authors:  Eva-Maria Ratai; Jeffrey P Bombardier; Chan-Gyu Joo; Lakshmanan Annamalai; Tricia H Burdo; Jennifer Campbell; Robert Fell; Reza Hakimelahi; Julian He; Patrick Autissier; Margaret R Lentz; Elkan F Halpern; Eliezer Masliah; Kenneth C Williams; Susan V Westmoreland; R Gilberto González
Journal:  PLoS One       Date:  2010-05-07       Impact factor: 3.240

Review 5.  Use of minocycline in viral infections.

Authors:  Kallol Dutta; Anirban Basu
Journal:  Indian J Med Res       Date:  2011-05       Impact factor: 2.375

Review 6.  How much do antiretroviral drugs penetrate into the central nervous system?

Authors:  L Ene; D Duiculescu; S M Ruta
Journal:  J Med Life       Date:  2011-11-24

Review 7.  Tetracycline and viruses: a possible treatment for COVID-19?

Authors:  Jesús A Mosquera-Sulbaran; Hugo Hernández-Fonseca
Journal:  Arch Virol       Date:  2020-11-02       Impact factor: 2.574

8.  Accurate Prediction of Inhibitor Binding to HIV-1 Protease Using CANDOCK.

Authors:  Zackary Falls; Jonathan Fine; Gaurav Chopra; Ram Samudrala
Journal:  Front Chem       Date:  2022-01-17       Impact factor: 5.221

  8 in total

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