ArticleMolecules (Basel, Switzerland)2022
Computational Bioprospecting Guggulsterone against ADP Ribose Phosphatase of SARS-CoV-2.
Article in Molecules (Basel, Switzerland), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed, 35 citations in OpenAlex.
- Computational modeling for rational design of novel phenoxy tacrine derivatives targeting Alzheimer's disease.PloS one · 2026Article
- Anticancer Activity of Roburic Acid: In Vitro and In Silico Investigation.International journal of molecular sciences · 2025Article
- In silico design of novel pyridazine derivatives as balanced multifunctional agents against Alzheimer's disease.Scientific reports · 2025Article
- Deciphering the anthelmintic mechanisms ofIn silico pharmacology · 2025Article
- Evaluation ofCurrent drug delivery · 2025Article
- Guggulsterone protects against cigarette smoke-induced COPD linked lung inflammation.Cell biochemistry and biophysics · 2024Article
- 2,2'- Bipyridine Derivatives Exert Anticancer Effects by Inducing Apoptosis in Hepatocellular Carcinoma (HepG2) Cells.Journal of hepatocellular carcinoma · 2024Article
- In silico drug repurposing carvedilol and its metabolites against SARS-CoV-2 infection using molecular docking and molecular dynamic simulation approaches.Scientific reports · 2023Article
- Vaccines development in India: advances, regulation, and challenges.Clinical and experimental vaccine research · 2023Review
- Impact of ACE and Endoplasmic Reticulum Aminopeptidases Polymorphisms on COVID-19 Outcome.Diagnostics (Basel, Switzerland) · 2023Article
- The protective effects of baicalin for respiratory diseases: an update and future perspectives.Frontiers in pharmacology · 2023Review
Corrections and comments
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Authors and funding
7 authors at 4 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Coronavirus Disease-2019 (COVID-19) is a highly contagious disease caused by Severe Acute Respiratory Syndrome-Coronavirus-2 (SARS-CoV-2). The World Health Organization (WHO) classified the disease a as global public health hazard on 11 March 2020. Currently, there are no adequate measures to combat viral infections, including COVID-19, and the medication guidelines for the management of COVID-19 are dependent on previous findings from SARS-CoV and MERS-CoV research. Natural products have achieved widespread acceptance around the world as a means of enhancing healthcare and disease prevention. Plants are a potential source of antiviral factors such as flavonoids, phenolic acids, terpenoids, and others. Some of these agents exhibit a broad spectrum of antiviral activity. This study aimed to screen herbal leads for possible inhibitors of the SARS-CoV-2 ADP Ribose Phosphatase enzyme (ARP). Guggulsterone was found to be highly stabilized within the active site of the viral ARP enzyme by molecular dynamic simulation with very little fluctuation throughout the simulation timeframe of 100 ns. Thus, guggulsterone can be further used to develop a safe and competent medication for evolving therapy against SARS-CoV-2 in post-preclinical and clinical trials.
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Registered trials
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