Identification of potential HIV-1 targets of minocycline

Ekachai Jenwitheesuk; Ram Samudrala

doi:10.1093/bioinformatics/btm424

Identification of potential HIV-1 targets of minocycline

Ekachai Jenwitheesuk
, Ram Samudrala

Department of Biomedical Informatics

University at Buffalo

National Science and Technology Development Agency Thailand
University of Washington

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

Summary: 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.

Original language	English
Pages (from-to)	2797-2799
Number of pages	3
Journal	Bioinformatics
Volume	23
Issue number	20
DOIs	https://doi.org/10.1093/bioinformatics/btm424
State	Published - Oct 15 2007

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10.1093/bioinformatics/btm424

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title = "Identification of potential HIV-1 targets of minocycline",

abstract = "Summary: 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.",

author = "Ekachai Jenwitheesuk and Ram Samudrala",

year = "2007",

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AU - Jenwitheesuk, Ekachai

AU - Samudrala, Ram

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N2 - Summary: 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.

AB - Summary: 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.

UR - https://www.scopus.com/pages/publications/35748954342

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DO - 10.1093/bioinformatics/btm424

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EP - 2799

JO - Bioinformatics

JF - Bioinformatics

IS - 20

ER -

Identification of potential HIV-1 targets of minocycline

Abstract

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