ArticleBioorganic & medicinal chemistry2008
Structure-based virtual screening against SARS-3CL(pro) to identify novel non-peptidic hits.
Article in Bioorganic & medicinal chemistry, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 25 papers.
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Who cites it
25 citing papers in PubMed.
- Structure and function of SARS-CoV and SARS-CoV-2 main proteases and their inhibition: A comprehensive review.European journal of medicinal chemistry · 2023Review
- Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.Protein science : a publication of the Protein Society · 2023Article
- In silico andFrontiers in cellular and infection microbiology · 2023Article
- Perspectives on SARS-CoV-2 Main Protease Inhibitors.Journal of medicinal chemistry · 2021Review
- Activatable Carbocyanine Dimers for Photoacoustic and Fluorescent Detection of Protease Activity.ACS sensors · 2021Article
- Protease targeted COVID-19 drug discovery: What we have learned from the past SARS-CoV inhibitors?European journal of medicinal chemistry · 2021Review
- Triazole, imidazole, and thiazole-based compounds as potential agents against coronavirus.Results in chemistry · 2021Review
- Druggable targets from coronaviruses for designing new antiviral drugs.Bioorganic & medicinal chemistry · 2020Review
- Design and Evaluation of Anti-SARS-Coronavirus Agents Based on Molecular Interactions with the Viral Protease.Molecules (Basel, Switzerland) · 2020Review
- Artificial intelligence approach fighting COVID-19 with repurposing drugs.Biomedical journal · 2020Article
- Targeting severe acute respiratory syndrome-coronavirus (SARS-CoV-1) with structurally diverse inhibitors: a comprehensive review.RSC advances · 2020Review
- Drug Development and Medicinal Chemistry Efforts toward SARS-Coronavirus and Covid-19 Therapeutics.ChemMedChem · 2020Review
- Pharmacological Therapeutics Targeting RNA-Dependent RNA Polymerase, Proteinase and Spike Protein: From Mechanistic Studies to Clinical Trials for COVID-19.Journal of clinical medicine · 2020Review
- Current Status of Epidemiology, Diagnosis, Therapeutics, and Vaccines for Novel Coronavirus Disease 2019 (COVID-19).Journal of microbiology and biotechnology · 2020Review
- An Overview of Severe Acute Respiratory Syndrome-Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy.Journal of medicinal chemistry · 2016Review
- Recent progress in the discovery of inhibitors targeting coronavirus proteases.Virologica Sinica · 2016Review
- Lead identification for the K-Ras protein: virtual screening and combinatorial fragment-based approaches.OncoTargets and therapy · 2016Article
- The essential roles of chemistry in high-throughput screening triage.Future medicinal chemistry · 2014Review
- Synthesis, modification and docking studies of 5-sulfonyl isatin derivatives as SARS-CoV 3C-like protease inhibitors.Bioorganic & medicinal chemistry · 2014Article
- Identification of novel drug scaffolds for inhibition of SARS-CoV 3-Chymotrypsin-like protease using virtual and high-throughput screenings.Bioorganic & medicinal chemistry · 2014Article
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Severe acute respiratory syndrome is a highly infectious upper respiratory tract disease caused by SARS-CoV, a previously unidentified human coronavirus. SARS-3CL(pro) is a viral cysteine protease critical to the pathogen's life cycle and hence a therapeutic target of importance. The recently elucidated crystal structures of this enzyme provide an opportunity for the discovery of inhibitors through rational drug design. In the current study, Gold docking program was utilized to conduct extensive docking studies against the target crystal structure to develop a robust and predictive docking protocol. The validated docking protocol was used to conduct a structure-based virtual screening of the Asinex Platinum collection. Biological evaluation of a screened selection of compounds was carried out to identify novel inhibitors of the viral protease.
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