Revista Internacional de Pesquisa e Desenvolvimento em Farmácia e Ciências da Vida

Abstrato

Docking Studies of Sars Cov2 Variants in India with Probable Therapeutic Elements

Dakshayini KS, Mrunalini BR, M Shivashankar

A novel corona virus was first reported in December 2019 in Wuhan, China. Despite intense research there is currently no effective medication available against the new (SARS-CoV-2). This infectious and communicable disease has become one of the major public health challenges in the world. Natural plant based phytochemicals of therapeutic nature are safe and easily available, also some modern medicinal compounds are known to treat corona virus affected patients. The ADAR1 and ZBP1, Z DNA binding protein plays a role in host immune responses and human disease.Hence, are important in recognition of the virus. In this study, we use the docking process, which involves the prediction of ligand conformation and orientation within a targeted binding site for drug design against the spike protein of 3 variants of SARS CoV 2, namely B.1.617, B.1.618 and B.1.1.7 . We selected five phytochemicals with anti-inflammatory property approved by Ayush, namely, Hesperidin CID:10621, Anthraquinone CID:6780, Withaferin CID:265237, Vicenin CID:442664,Tinocardiside CID:177384 and five modern medicinal compounds with anti-viral properties as small molecules (ligands) approved by FAD, namely, Abacavir CID:441300, Ribavirin CID:36791, Zidovudine CID:35370, Viread CID:202138, Lamivudine CID:60825 and Z DNA binding proteins for their role in enhancing immune response. Among all the therapeutic elements, Withaferin A (phytochemical) and Viread (prodrug of tenofovir) were the best candidates found for interfering with the Spike protein-ACE2 site of all three variants. Comparatively, Z DNA binding proteins have shown more binding affinity than the therapeutic elements.