The outbreak of the recent coronavirus (SARS-CoV-2), which causes a severe pneumonia infection, first identified in Wuhan, China, imposes significant risks to public health. Around the world, researchers are continuously trying to identify small molecule inhibitors or vaccine candidates by targeting different drug targets. The SARs-CoV-2 macrodomain-I, which helps in viral replication and hijacking the host immune system, is also a potential drug target. Hence, this study targeted viral macrodomain-I by using drug similarity, virtual screening, docking and re-docking approaches. A total of 64,043 compounds were screened, and potential hits were identified based on the docking score and interactions with the key residues. The top six hits were subjected to molecular dynamics simulation and Free energy calculations and repeated three times each. The per-residue energy decomposition analysis reported that these compounds significantly interact with Asp22,

Backgroound: Lepidium pinnatifidum is a multipurpose, beneficial plant and known well for its indigenous therapeutic standards. Current study is aimed to investigate antioxidant and anti-inflammatory potency of Lepidium pinnatifidum. L. pinnatifidum dried powder was extracted with crude methanol (LPM) and then fractionated with various solvents to get respective fractions, termed as, n-hexane (LPH), chloroform (LPC), ethyl acetate (LPE), butanol (LPB) and the aqueous fraction (LPA). Fractions were evaluated for total flavonoid and phenolic content. Antioxidant profile was quantified via an array of antioxidant assays. Anti inflammatory activity was evaluated in vitro, and further assessed by in vivo study in Sprague Dawley rat. Result: Total phenolics (TPC) range from 48.15 ± 1.03-241.23 ± 1.07 mg GAE/g while total flavonoids (TFC) quantified were 16.32 ± 1.14-136.32 ± 1.14 mg RE/g. The in vitro antioxidant assays exhibited remarkable radicals scavenging action in different assays. Substantial positive correlation was instituted between TPC, TFC and various antioxidant assays. Inhibition of the heat induced protein denaturation reflected anti inflammatory potency, further supported by in vivo carrageenan induced paw edema. Conclusion: The obtained results lead to suggesting the therapeutic perspective of L. pinnatifidum in oxidative stress and inflammation associated ailments. The bio active ingredients behind its potential protectivity needs to be further confirmed.