ArticleJournal of biomolecular structure & dynamics2022
Pharmacophore based virtual screening, molecular docking, molecular dynamics and MM-GBSA approach for identification of prospective SARS-CoV-2 inhibitor from natural product databases.
Article in Journal of biomolecular structure & dynamics, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 49 papers.
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Who cites it
49 citing papers in PubMed.
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- An integrative in silico and in vitro synergy of Cinnamomum verum essential oil and cinnamaldehyde with imipenem against extensively drug-resistant Gram-negative bacteria.Scientific reports · 2026Article
- Anticonvulsant Potential and Network Pharmacology Analysis of Pimenta dioica (L.) Merr.Chemistry & biodiversity · 2026Article
- Synthesis, in vitro anti-HIV-1 reverse transcriptase evaluation, molecular modelling, DFT analysis and acute oral toxicity assessment of benzotriazole derivatives.Scientific reports · 2026Article
- ML-Driven Pharmaceutical Cocrystal Technology: Advances in Screening, Property Prediction and Applications.AAPS PharmSciTech · 2026Review
- Synthesis, Characterization, Antimicrobial Activity, Docking, and In Silico ADMET Analysis of Some New 2,3-Dihydrobenzo[b][1,4]thiazepine Derivatives.BioMed research international · 2026Article
- In-silico studies, synthesis, and pharmacological screening of novel multitarget diphenylpyrazole scaffold as EGFR/BRAF and cyclooxygenase-2 inhibitors.Scientific reports · 2025Article
- Investigating chronic myeloid leukemia therapeutics: AI-optimized design and synthesis of 4-methylthiazole-2-amine derivatives with translocation control activity.RSC advances · 2025Article
- In silico screening of phytochemicals against chromatin modifier, SETD7 for remodeling of the immunosuppressive tumor microenvironment in renal cancer.Molecular diversity · 2025Article
- Identifying drug targets and evaluating KLK3-targeted inhibitors for prostate cancer using in-silico and in-vitro approaches.Medical oncology (Northwood, London, England) · 2025Article
- In silico and in vitro investigations reveal pan-PPAR agonist activity and anti-NAFLD efficacy of polydatin by modulating hepatic lipid-energy metabolism.Scientific reports · 2025Article
- Article
- The Quasi-Bound State as a Predictor of Relative Binding Free Energy.Journal of chemical information and modeling · 2025Article
- Development of Potent Type V MAPK Inhibitors: Design, Synthesis, and Biological Evaluation of Benzothiazole Derivatives Targeting p38α MAPK in Breast Cancer Cells.Archiv der Pharmazie · 2025Article
- Article
- Cheminformatics-based screening and evaluation of phytochemicals as CDK2 inhibitors in colorectal cancer therapy.PloS one · 2025Article
- Design, synthesis, and biological assessment of a novel series of coumarin-tethered thiazole derivatives as potential antibacterial agents.Frontiers in chemistry · 2025Article
- New 4-amino-3-chloro benzoate ester derivatives as EGFR inhibitors: synthesis, in silico and biological analyses.Future medicinal chemistry · 2024Article
Corrections and comments
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Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
COVID-19 caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) primarily appeared in Wuhan, China, in December 2019. At present, no proper therapy and vaccinations are available for the disease, and it is increasing day by day with a high mortality rate. Pharmacophore based virtual screening of the selected natural product databases followed by Glide molecular docking and dynamics studies against SARS-CoV-2 main protease was investigated to identify potential ligands that may act as inhibitors. The molecules
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