ArticleCurrent research in pharmacology and drug discovery2021
Potential inhibitors of SARS-CoV-2 (COVID 19) spike protein of the delta and delta plus variant: In silico studies of medicinal plants of North-East India.
Article in Current research in pharmacology and drug discovery, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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9 citing papers in PubMed.
- Evaluation the role of quinoa seeds in attenuation the brain cellular senescence and aging induced by D-galactose and γ-radiation in rats: insights into autophagy, telomerase activity, amyloid-β and tau proteins.Inflammopharmacology · 2026Article
- Alleviation of nonalcoholic steatohepatitis induced by tetracycline in rats by Coffee Arabica extract through autophagy signals (mTOR/LC3-B).Scientific reports · 2026Article
- Generative adversarial network (GAN) model-based design of potent SARS-CoV-2 MMolecular diversity · 2025Article
- Investigating new drugs from marine seaweed metabolites for cervical cancer therapy by molecular dynamic modeling approach.Scientific reports · 2025Article
- In-silico and in-vitro studies to identify potential inhibitors of SARS-CoV-2 spike protein from Omani medicinal plants.Heliyon · 2024Article
- Natural products as a source of Coronavirus entry inhibitors.Frontiers in cellular and infection microbiology · 2024Review
- COVID-19: A novel holistic systems biology approach to predict its molecular mechanisms (in vitro) and repurpose drugs.Daru : journal of Faculty of Pharmacy, Tehran University of Medical Sciences · 2023Article
- Exploring the inhibitory potential ofJournal of molecular structure · 2022Article
- COVID-19 therapy, from lung disease to systemic disorder.Current research in pharmacology and drug discovery · 2022Article
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Abstract
Phytochemicals of 38 Medicinal plants of North-East India, with anti-viral, anti-oxidant or anti-bacterial properties were screened for properties of drug likeness. 231 phytochemicals were screened with LIPINSKI rule of five to obtain 131 candidates, which were further screened with SWISS-ADME, to obtain 50 phytochemicals. These phytochemicals were docked with the spike protein of the Delta variant (B.1.617.2) and Delta-Plus (AY.1) variant of SARS-CoV-2 using Autodock Vina and MOE 09. The target proteins were constructed by homology modeling using Swiss-Model. Hydroxychloroquine, taken as a standard in docking analysis, exhibited a binding energy of -6.5 kcal/mol and -6.1 kcal/mol with respect to the Delta variant and Delta-Plus variant respectively. Among the 50 docked results most flavones showed very good docking scores. 3,5,8-Trimethoxy-6,7,4,5-bis(methylenedioxy)flavone, a Poly-Methoxyflavone, produced a highest docking score of -8.7 kcal/mol with respect to both the spike protein targets. Poly-Methoxyflavones and Poly-Ethoxyflavones exhibited good binding affinity for the target spike protein of SARS-CoV-2, and can be potential anti-viral drug candidates against the existing Delta variant of the SARS-CoV-2.
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