Medicinal Chemistry

Atta-ur-Rahman  
Honorary Life Fellow
Kings College
University of Cambridge
Cambridge
UK
Email: mc@benthamscience.org

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Agaritine and Its Derivatives Are Potential Inhibitors against HIV Proteases

Author(s): Wei-Na Gao, Dong-Qing Wei, Yun Li, Hui Gao, Wei-Ren Xu, Ai-Xiu Li and Kuo-Chen Chou

Affiliation: Dr. Wei at the College of Life Science and Technology, Shanghai Jiaotong University, 800 Donglin Road, Minhang District, Shanghai, 200240, China.

Keywords: HIV Protease, AIDS, agaritine, docking, binding interaction, derivative of chinese herbal medicine, structurebased drug design

Abstract:

Agaritine, or β-N-[γ-L(+)-glutamyl]-4-hydroxymethylphenylhydrazine, is a Chinese herbal medicine, known having the antiviral and anticancer function. However, so far no reports whatsoever have been made for its potential as an anti-HIV agent. It was observed by docking experiments for more than 9,000 compounds extracted from various Chinese medicines that the compound agaritine distinguished itself from all the others in binding to the HIV protease with the most favorable free energy. Based on this, a series of derivatives were generated by modifying agaritine. It has been observed thru an extensive docking study that some of agaritine derivatives had markedly stronger binding interaction with the HIV protease than agaritine, suggesting that these derivatives might be good candidates for developing drugs for AIDS therapy.

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Article Details

VOLUME: 3
ISSUE: 3
Page: [221 - 226]
Pages: 6
DOI: 10.2174/157340607780620644