The coronavirus disease-19 (COVID-19) outbreak that is caused by a highly contagious severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has become a zoonotic pandemic, with approximately 24.5 million positive cases and 8.3 lakhs deaths globally. The lack of effective drugs or vaccine provoked the research for drug candidates that can disrupt the spread and progression of the virus. The identification of drug molecules through experimental studies is time-consuming and expensive, so there is a need for developing alternative strategies like in silico approaches which can yield better outcomes in less time. Herein, we selected transmembrane protease serine 2 (TMPRSS2) enzyme, a potential pharmacological target against SARS-CoV-2, involved in the spread and pathogenesis of the virus. Since 3D structure is not available for this protein, the present study aims at homology modelling and validation of TMPRSS2 using Swiss-model server. Validation of the modelled TMPRSS2 using various online tools confirmed model accuracy, topology and stereochemical plausibility. The catalytic triad consisting of Serine-441, Histidine-296 and Aspartic acid-345 was identified as active binding site of TMPRSS2 using existing ligands. Molecular docking studies of various drugs and phytochemicals against the modelled TMPRSS2 were performed using camostat as a standard drug. The results revealed eight potential drug candidates, namely nafamostat, meloxicam, ganodermanontriol, columbin, myricetin, proanthocyanidin A2, jatrorrhizine and baicalein, which were further studied for ADME/T properties. In conclusion, the study unravelled eight high affinity binding compounds, which may serve as potent antagonists against TMPRSS2 to impact COVID-19 drug therapy.

The traditional system of medicinal plants have been found to possess significant anti-inflammatory, antibacterial, anti-fungal, anti-diabetic, analgesic properties etc. Plant-derived drugs are used to cure mental illness, skin diseases, tuberculosis, diabetes, jaundice, hypertension, and cancer. Wedelia Trilobata belongs to family Asteraceae. Leaf, stem, and flower of Wedelia trilobata show anti-microbial, anti-oxidant and anti-inflammatory activity, analgesic activity. Phytochemical screening of the extract has been reported to show the presence of tannins, cardiac glycosides, flavonoids, terpenoids, phenols, saponins, and coumarins. Wedelia Trilobata is also used in reproductive problems, amenorrhea, chest cold, dry cough, and fever. The present review aims to the study was phytoconstituents, biological and pharmacological activities of Wedelia trilobata. This study suggested a possible use of Wedelia trilobata as a source of natural medicines as an anti-inflammatory, anti-oxidant, anti-microbial, hepatoprotective, antidiabetic agents. Keywords: Wedelia Trilobata, Trialing daisy trilobata, Complaya trilobata(L), Sphagneticola Trilobata, pharmacological review.

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Background: Obesity and overweight, together with physical inactivity, are projected to cause a huge proportion of the global diabetes burden. Natural products play a key role in the discovery of novel therapeutic agents. Aim: The present study aimed to elucidate in silico and in vivo anti-diabetic and anti-hyperlipidemic potential of Ethyl acetate (EFE) and ethyl acetate:methanol (EMFE) fractions of F. elephantum fruit in diabetic rats. Methods: Male Sprague-Dawley rats were induced type 2 diabetes by high fat diet (HFD) for a period of 2 weeks and then injected intraperitoneally with Streptozotocin (STZ, 35 mg/ kg b.w). Results: Significant antihyperglycemia was displayed in rats treated with EFE and EMFE in OGTT in normal rats. Daily oral treatment with EFE and EMFE each at 100 and 200 mg/kg b.w for 5 weeks resulted in significant reduction in plasma glucose levels and HbA 1c , increased plasma insulin levels, normalised lipid profile and liver function parameters in HFD and STZ model. In addition, degenerative histopathological changes were found to be normalized. Molecular docking studies revealed strong binding efficacy of the active constituents of the extract viz., 22,23-dihydrostigmasterol, tocopherol and campesterol with α-amylase enzyme and PPAR-γ. Conclusion: These results suggest a promising anti-diabetic and anti-hyperlipidemic effect of Feronia elephantum fruit without apparent toxic effects.