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Shorea hemsleyana(King) King ex Foxw is used to treat various ailments in humans. Numerous biological activities have been reported previously. The current study sought to identify S. hemsleyanaphyto-derived anti-viral compounds against the SARS-CoV-2 main protease to gain insight into the molecular interactions. In the present research, nine compounds obtained from the PubChem database are examined via molecular docking. Docking experiments were conducted using the AutoDock Vina tool. The Swiss ADME and DruLito servers were used for drug-like predictions. Our research shows that the phytoconstituents of S. hemsleyana, namely, Hemsleyanol-A and Hemsleyanoside-A, may act against SARS CoV-2 main protease with the binding affinity of − 7.6 and − 6.8 kcal/mol respectively, which were further validated by molecular dynamics (MD) simulations and end-state binding energy calculations. These phytocompounds could be used in contemporary strategies to develop effective medicines from natural sources. The identified substances are potential anti-viral agents. However, in vitro studies are necessary to assess their effectiveness against SARS-CoV-2.

A selective and high-throughput liquid chromatography–mass spectrometry method has been developed and validated for the simultaneous quantification of paroxetine, fampridine, and quinidine in rat plasma using imipramine as an internal standard. Following protein precipitation extraction, the analytes and internal standard were run on XBridge C18 column (150 mm × 4.6 mm, 5 μm) using a gradient mobile phase consisting of 5mM ammonium formate in water (pH 9.0) and acetonitrile in a flow gradience program. The precursor and product ions of the drugs were monitored on a triple quadrupole instrument operated in the positive ionization mode. The method was validated over a concentration range of 0.1–100 ng/mL for all the three analytes, with relative recoveries ranging from 69% to 82%. The intra- and interbatch precision (percent coefficient of variation) across four validation runs were less than 13.4%. The accuracy determined at four quality control (QC) levels (lower limit of quantitation, low QC, medium QC, and high QC) was within ±6.5% of coefficient of variation values. The method proved highly reproducible and sensitive, and was successfully applied in a pharmacokinetic study after single-dose oral administration to rats and also in perfusion study sample analysis.