What is it about?
Quionolone carboxylic acid derivatives were investigated for treatment of AIDS. HQSAR, topomer CoMFA and molecular docking were applied to a series of quionolone carboxylic acid derivatives. These results provide useful insights for the design of potent new inhibitors of HIV-1 integrase.
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Why is it important?
The models generated form HQSAR and topomer CoMFA were able to effectively predict the inhibitory potency of quionolone carboxylic acid derivatives. The molecular docking method revealed the likely bioactive conformations, and it showed that there are extensive interactions between these drugs and residues in the active site of HIV‐1 integrase.
Perspectives
Writing this article was a great pleasure as it has co-authors with whom I have had long standing collaborations. I hope this article makes what people should care about AIDS patients, and medical community should work hard for development of AIDS drugs.
Pei Zhan
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This page is a summary of: Quionolone carboxylic acid derivatives as HIV-1 integrase inhibitors: Docking-based HQSAR and topomer CoMFA analyses, Journal of Chemometrics, August 2017, Wiley,
DOI: 10.1002/cem.2934.
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