Bioinformatic Analysis of Antiviral Medicinal Compounds Against Sars Cov-2 Proteases

Abstract

The world is under siege from a global pandemic caused by a novel class of coronaviruses called severe acute respiratory syndrome coronavirus-2 (SARS CoV-2). These viruses cause severe respiratory illness leading to death. Molecular studies reveal that SARS CoV-2 proteases are involved in the processing of viral polyproteins. This study was conducted to obtain antiviral agents for SARS CoV-2 proteases. An extensive library of antiviral medicinal compounds was scrutinized to determine the probable interaction with both main and 3-chymotrypsin like proteases. Six antiviral compounds (Abietic Acid, Gallic Acid, Piceatannol, Piperine, Sinomenine, and Triptolide) were capable of establishing hydrogen bonds with the active pocket residues of the viral proteases, with appreciable binding energy. These compounds were subjected to root mean square analysis and tested not only for acute toxicity, but also for absorption, distribution, metabolism, excretion, and toxicity properties. Results were favourable for use in the treatment of SARS COV-2 infection.

Exploring Natural Compounds of Sungihwajungtang for TRPV1 Antagonistic and Anti-inflammatory Effect using in silico Method

“…It is established in the recent literature that a ligand bonded to the active site residues via a hydrogen bond brings functional changes in the protein structure resulting in the inhibition of protein function. [17][18] Therefore, these compounds could be involved in alleviating pain response in different types of disease which might have a promising role in alleviating chronic pain in TMD. These four compounds reduce the expression of CXC10, CXCR6 and IL1R1 and SDC4 levels.…”

Sinomenine accelerate wound healing in rats by augmentation of antioxidant, anti-inflammatory, immunuhistochemical pathways

“…The sinomenium acutum root was the original source of an alkaloid called sinomenine, a chemical that can exhibit numerous pharmacological potentials including anti-angiogenic, anti-rheumatic, and immunomodulatory actions [ 17 ]. Recent in vitro and in vivo clinical trials have shown numerous biological potentials of this alkaloid (sinomenine), including antioxidant [ 18 ], anti-microbial [ 19 ], anti-inflammation [ 20 ], anticancer [ 21 ], antiviral [ 22 ], antidiabetic [ 23 ], anti-hypertensive [ 24 ], and anti-nociceptive (analgesia) actions [ 25 ]. Sinomenine has shown effective therapeutic actions against cardiovascular disease in rats [ 26 ].…”