Biological compounds conjugated nanoparticles exhibiting many biological activities. Coumarin and p-coumaric acid have been implicated to alleviate multiple diseases and we have isolated from endophytic fungi Alternaria species-1 of Crotalaria pallida. In the present study, we are interested in assessing the anti-HIV and anticoagulant properties of coumarin and p-coumaric acid by molecular interaction studies. We have used coumarin, p-coumaric acid, coumarin conjugated fullerene, p-coumaric acid conjugated fullerene, fullerene individually. Two coagulant and nine HIV-1 proteins were selected for molecular docking studies. We report that p-coumaric acid has greater interaction with coagulant proteins followed by coumarin and fullerene. Among HIV-1 proteins higher interaction was observed with p-coumaric acid especially HIV-1 gp120. However, upon coagulating fullerene to coumarin and p-coumaric acid, coumarin-fullerene showed significantly greater interaction with coagulant proteins and all HIV-1 proteins, compared to p-coumaric acid-fullerene and fullerene. Our in silico study, thus identifies nanoparticles synthesized by fullerene conjugated to naturally occurring coumarin and p-coumaric acid as a potential, safe and cost effective alternative strategy to treating HIV or its use as an anticoagulant.
Author(s): Govindappa M