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Human Immunodeficiency Virus (HIV-1) has glycoproteins gp41 and gp120 use to attached to the host cell. Development of antiviral drug use in silico drug design to select potent lead molecule from medicinal plants. Bioactive components of Sweet basil (Ocimum basilicum Linn.), Luyang dilaw (Curcuma longa Linn.), Lagundi (Vitex negundo) were used as ligands to inhibit HIV-1 gp120 and gp41 using ArgusLab Software. Inhibition of gp120, results showed that the α-Guaiene from Sweet basil has the lowest binding affinity and energy fitness which, are-9.6kcal/mol and -8.6kcal/mol, respectively. Sitosterol from Sweet basil has the lowest binding affinity and energy fitness of -10.9kcal/mol and -10.58kcal/mol for the inhibition of gp41. Statistical analysis shows that these bioactive components are comparable with that of the active component of commercially available drugs in inhibiting gp120 and gp41 based on these parameters. Thus, these bioactive compounds may be developed further as drugs in inhibiting HIV-1.

oriental journal of chemistry/oriental journal of chemistry

Computational Study of Bioactive Components of Sweet Basil (Ocimum basilicum Linn.), Luyang dilaw (Curcuma longa Linn.) and Lagundi (Vitex negundo) as Inhibitor against Human Immunodeficiency Virus (Hiv-1)