Designing potential HIV-1 integrase inhibitors: An In silico approach

Abstract

Human immunodeficiency virus is a spectrum of conditions caused by infection with the human immunodeficiency virus. In 2019, about 38 million people worldwide were living with HIV and 690,000 deaths had occurred in that year. To date, for the treatment of HIV-1 disease, many compounds have been synthesized and some of them was approved by FDA. However, the use of these drugs has been limited due to reasons such as resistance caused by the misuse of drugs and bad side effects. We describe herein designing 48 novel compounds as a potential inhibitor of HIV-1 integrase through in silico studies such as molecular docking, target analysis, toxicity prediction and ADME prediction. The online web-based platform, SwissADME, also predicts these molecules solubility, pharmacodynamics property and target accuracy.

Keywords

• Swissadme
• HIV-1 Integrase
• Molecular Docking
• In Silico Study
• Toxicity

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