ArticleACS medicinal chemistry letters2022
Design and Evaluation of Bispidine-Based SARS-CoV-2 Main Protease Inhibitors.
Article in ACS medicinal chemistry letters, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed.
- Recent Advances in the Design of Inhibitors Targeting the Viral Entry and Replication of the SARS-CoV-2 Virus, Driven by In Silico Approaches.Molecules (Basel, Switzerland) · 2026Review
- Synthesis, neurotropic activity and docking studies of 1,2,4-triazole-linked hybrids based on 2,7-naphthyridine and bispidine rings.RSC advances · 2026Article
- Exploring covalent inhibitors of SARS-CoV-2 main protease: from peptidomimetics to novel scaffolds.Journal of enzyme inhibition and medicinal chemistry · 2025Review
- A Comprehensive Update of Anti-COVID-19 Activity of Heterocyclic Compounds.Drug design, development and therapy · 2024Review
- Structural Basis for the Inhibition of SARS-CoV-2 MViruses · 2023Article
- Structure and function of SARS-CoV and SARS-CoV-2 main proteases and their inhibition: A comprehensive review.European journal of medicinal chemistry · 2023Review
- An Unusual Rearrangement of Pyrazole Nitrene and Coarctate Ring-Opening/Recyclization Cascade: Formal CH-Acetoxylation and Azide/Amine Conversion without External Oxidants and Reductants.Molecules (Basel, Switzerland) · 2023Article
- Recent Advances in SARS-CoV-2 Main Protease Inhibitors: From Nirmatrelvir to Future Perspectives.Biomolecules · 2023Review
- The main protease 3CLpro of the SARS-CoV-2 virus: how to turn an enemy into a helper.Frontiers in bioengineering and biotechnology · 2023Article
- Synthesis of conjugates of (aRussian chemical bulletin = Izvestiia Akademii nauk. Seriia khimicheskaia · 2023Article
- Synthesis of non-symmetricRussian chemical bulletin = Izvestiia Akademii nauk. Seriia khimicheskaia · 2023Article
- Triterpenic Acid Amides as Potential Inhibitors of the SARS-CoV-2 Main Protease.Molecules (Basel, Switzerland) · 2022Article
- Recruitment of chalcone's potential in drug discovery of anti-SARS-CoV-2 agents.Phytotherapy research : PTR · 2022Review
- Targeting SARS-CoV-2 Main Protease for Treatment of COVID-19: Covalent Inhibitors Structure-Activity Relationship Insights and Evolution Perspectives.Journal of medicinal chemistry · 2022Review
- New Chemicals Suppressing SARS-CoV-2 Replication in Cell Culture.Molecules (Basel, Switzerland) · 2022Article
- The SARS-CoV-2 main protease (MMedComm · 2022Review
- Anticancer Cytotoxic Activity of Bispidine Derivatives Associated with the Increasing Catabolism of Polyamines.Molecules (Basel, Switzerland) · 2022Article
- Penicillin Derivatives Inhibit the SARS-CoV-2 Main Protease by Reaction with Its Nucleophilic Cysteine.Journal of medicinal chemistry · 2022Article
- Computationally driven discovery of SARS-CoV-2 MChemical science · 2022Article
- Bispidine Platform as a Tool for Studying Amide Configuration Stability.Molecules (Basel, Switzerland) · 2022Article
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Authors and funding
17 authors.
Funding
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Abstract
For the first time, derivatives of 3,7-diazabicyclo[3.3.1]nonane (bispidine) were proposed as potential inhibitors of the SARS-CoV-2 main viral protease (3-chymotrypsin-like, 3CLpro). Based on the created pharmacophore model of the active site of the protease, a group of compounds were modeled and tested for activity against 3CLpro. The 3CLpro activity was measured using the fluorogenic substrate Dabcyl-VNSTLQSGLRK(FAM)MA; the efficiency of the proposed approach was confirmed by comparison with literature data for ebselen and disulfiram. The results of the experiments performed with bispidine compounds showed that 14 compounds exhibited activity in the concentration range 1-10 μM, and 3 samples exhibited submicromolar activity. The structure-activity relationship studies showed that the molecules containing a carbonyl group in the ninth position of the bicycle exhibited the maximum activity. Based on the experimental and theoretical results obtained, further directions for the development of this topic were proposed.
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Registered trials
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