A novel coronavirus (COVID-19) was identified as one of the severe acute respiratory syndrome coronaviruses (SARS-CoV-2) and emerged as a pandemic in 2020. Thus, there is an urgent need to screen and develop an agent to suppress the proliferation of viral particles of SARS-CoV-2, and several drugs have entered clinical trial phases to assess their therapeutic potential. The objective of the present study is to screen phytochemicals against the main viral protease using molecular docking studies. The phytochemicals vasicine, vasicinone, vasicinolone, vasicol, vasicolinone, adhatodine, adhavasicinone, aniflorine, anisotine, vasnetine, and orientin from Adhatoda vasica were selected, and the compounds were docked with various viral protein targets, including specific SARS-CoV-2 main protease (PDBID:6Y84), using AutoDock, Schrodinger, Biovia discovery studio, and virtual screening tools. Adhatodine and vasnetine showed a better binding affinity of −9.60 KJ/mol and −8.78 KJ/mol, respectively. In molecular docking simulations for 10 ns, these compounds illustrated strong hydrogen-bonding interactions with the protein active site and induced a potential conformational change in the ligand-binding site. The results were compared with the antiviral drugs nirmatrelvir and ritonavir. These results suggest that these phytochemicals can be studied as potential inhibitors against SARS-CoV-2 protease and may have an antiviral effect on coronavirus. However, further in vitro and in vivo efficacy activity needs to be investigated for these phytochemicals.

Aim: To perform in vitro analysis of antioxidant and antiurolithiasis to carry out GC–MS-based metabolite profile. Materials & methods: The effect of apple cider vinegar (ACV) in vitro, antioxidant... Plain language summary Due to the modern lifestyle, urolithiasis continues to be a global medical burden and is getting worse every day and seems to have a very high recurrence rate. Urolithiasis c...

Urolithiasis is one among the major disorder affecting large population; treatment through allopathic and surgery procedure has proven for the chances of the recurrence of thestone. Theoccurrence of the stones may be due to the genetic predominance, dietary factors and water containing heavy metals, kidney stones are one of the major prevalence across the world and is life threatening in older age patients. Hence, Pashanabheda, are those herbal plants that dissolve the kidney stones and reduce the period of recurrence and are being proven in animals. The herbal constituents such as Alkaloids, Flavonoids, saponin, triterpene, tannins etc., play a major breakthrough in the treatment of kidney stones.

Since the 1970s, non-alcoholic fatty liver disease (NAFLD), which affects around 25% of individuals globally, has become the most common chronic liver disease [1]. It is also recognized to be intim...

The hepatic manifestation of metabolic syndrome, associated with various metabolic diseases such as type 2 diabetes, insulin resistance, and high cholesterol, is called non-alcoholic fatty liver disease (NAFLD). Despite several research efforts, no approved medicine is currently available for the treatment of this illness. Swiss Target Prediction was used to screen phytochemicals. To examine potential targets, the protein-protein interaction (PPI) network was developed. Cytoscape was used to create the component-target-pathway (C-T-P) network, and AutoDock was used to assess molecular docking. Antioxidant and anti-inflammatory qualities were tested in vitro. Naringenin, ellagic acid, and cyanidin were found to be the main active components. As important targets, PPARA, PPARG, and AKT1 were selected. Through enrichment analysis, a total of 20 crucial signaling pathways, including insulin resistance (IR), NAFLD, relaxin, PI3K-Akt, HIF-1, AGE-RAGE, and MAPK, were identified. The in silico computational techniques predicted the molecular pathway for the active ingredients and the disease targets, thus helping to further research.

The article entitled “Natural Polyphenols of Pomegranate and Black Tea Juices can Combat COVID-19 through their SARS-CoV-2 3C-like Protease-inhibitory Activity” is well written and explained the importance of Natural polyphenols that can combat SARS-...