Human Immunodeficiency Virus (HIV) is a lent virus that cause Acquired Immunodeficiency Syndrome (AIDS). Many antiviral agents present in clinical use have a narrow spectrum of activity, limited therapeutic usefulness and variable toxicity. HIV-1 protease is a retroviral aspartyl protease that is essential for the life cycle of HIV, the retrovirus that causes AIDS. In the current study, in-silico analysis of HIV-1 protease with phyto constituents from Amaranthus tricolor (L) was carried out. The methanolic extract of the Amaranthus tricolor (L) leaves were prepared by cold maceration process and named as ATME. The ATME extract was fractionated with equal volume of chloroform and water. The chloroform extract was further fractionated with n-hexane: ethyl acetate (6:4 v/v) as mobile phase suggested by HPTLC. Based on bio autography the third fraction (SOWIS-III) was selected for further in-silico analysis. The structural interpretation of isolated compound SOWIS-III was determined as a flavonol glycoside 24-methylene cycloartenol. In-silico analysis of 24-methylene cycloartanol was performed by molecular docking and was docked with HIV-1 protease which is essential for HIV life cycle. The enzyme binds to active site by inhibiting the tetrahedral intermediate of its substrate and dysfunctions the enzyme. The strong bonding and interaction of the compound depicts bioactivity of compound as 36.88 nM. Hence 24-Methylenecycloartanol is drug candidate for HIV-Virus.
Keywords: Amaranthus tricolor (L), Chloroform extract, In-silico analysis, 24-methylene cycloartanol