Cinnamon has been utilized to remedy a lot of afflictions of humans. Literary works illustrate that it possesses numerous biological activities. Our research study is intended to recognize the phytoderived antiviral substances from Cinnamon against COVID-19 main protease enzyme and to understand the in silico molecular basis of its activity. In the present study, 48 isolates compounds from Cinnamon retrieved from the PubMed database, are subjected to docking analysis. Docking study was performed using Autodock vina and PyRx software. Afterwards, admetSAR, as well as DruLiTo servers, were used to investigate drug-likeness prophecy. Our study shows that the nine phytochemicals of Cinnamon are very likely against the main protease enzyme of COVID-19. Further MD simulations could identify Tenufolin (TEN) and Pavetannin C1 (PAV) as hit compounds. Utilizing contemporary strategies, these phyto-compounds from a natural origin might establish a reliable medication or support lead identification. Identified hit compounds can be further taken for in vitro and in vivo studies to examine their effectiveness versus COVID-19.

Melissa officinalis (Lamiaceae) was used to treat multiple human afflictions. Literary works demonstrated that it has many biological activities. Today’s research aims to recognise Melissa officinalis phyto-derived anti-viral compounds against main protease and spike protein of COVID-19, to gain insight into the molecular interactions. In the current study, 12 molecules taken from Melissa officinalis were analysed through docking, which is derived from the PubMed database. Docking experiments were conducted with Autodock tool. AdmetSAR and Data warrior servers were eventually used for drug-like prediction. Our research shows that three phytoconstituents from Melissa officinalis , namely, Luteolin-7-glucoside-3′-glucuronide, Melitric acid-A and Quadranoside-III have exhibited better binding affinity and stability with the targets of COVID-19 main protease and spike protein. The identified substances can be further extended for in vitro and in vivo studies to assess their effectiveness against COVID-19.

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This research was performed to analyze the antinociceptive task of methanolic extract of Ipomoea marginata in addition to in silico evaluation of the antinociceptive task of the separated constituents from Ipomoea marginata versus cyclooxygenase 2 enzyme together with absorption, distribution, metabolism, excretion/toxicity analysis of separated substances. In vivo antinociceptive task of methanolic extract of Ipomoea marginata was examined by acetic acid-induced agonizing, tail immersion and the hot plate on rodents. In silico activity of the isolated substances, absorption, distribution, metabolism, excretion/toxicity assessment was carried out by Autodock 4.0 and data warrior software applications. The results revealed that methanolic extract of Ipomoea marginata has the greatest possible dose-dependent antinociceptive task at all doses. Amongst the substances, Ipalbidine showed the very best docking score of -8.26, which was virtually better than standard diclofenac, i.e., -7.03, guaranteeing good binding compatibility among the ligand and the receptor than the standard and absorption, distribution, metabolism, excretion/toxicity evaluation using data warrior assures the compound has not breached Lipinski's guideline of five suggesting its safety consumption. To conclude, Ipomoea marginata can be a potent resource of antinociceptive activity and also additional simulation studies are needed to develop the performance of Ipalbidine.