Anti- SARS-CoV-2 main protease complex (Mpro) activity of Palmatine
VYANKATESH JADHAV · 2020
Abstract The Pandemic situation caused due to SARS-CoV-2 causing Coronavirus Disease (CoVID-19) around globe. Recent, COVID-19 main protease complex (Mpro), highly modulating enzyme in SARS-CoV-2 was reported for viral replication and transcription. This multifunctionality of Mpro attracts for identification of potential drug target. Considering impact, In silico analysis was performed for Palmatine alkaloid against Mpro. Naturally, present in Tinospora cordifolia, found effective against Cancer, HIV, viral infections, diabetics. In methods, physico-chemical analysis by ProtParam tool and Structure of Mpro was predicted by SWISS-MODEL Workspace homology modeling server. Superimposition Structure and significant equal QMQE, QSQE values were found for eight highly similar templates. Structural assessment validation by Ramachandran plot (97.67% favoured), Local Quality estimate ratio (>0.6) and higher QMEAN score (y-axis). Further, docking was performed with validated Mpro model by SwissDock server. Interaction with -8.281919 ΔG indicates reliable Interaction. Also, comparative docking reveals, most favoured Palmatine interaction. Thus, an attempt was made to find potent inhibitor for SARS-CoV-2, as there is no promising and specific anti-viral drug or vaccine available for prevention and treatment of infections. However, In Vitro studies are required. Toxicity studies reported against Palmatine for acute effect (135 mg/kg body weight) on mouse model LD 50.