ArticleBioorganic & medicinal chemistry2013
Evaluation of adamantane hydroxamates as botulinum neurotoxin inhibitors: synthesis, crystallography, modeling, kinetic and cellular based studies.
Article in Bioorganic & medicinal chemistry, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 23 papers.
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Who cites it
23 citing papers in PubMed, 47 citations in OpenAlex.
- Unveiling Novel Metalloprotease Inhibitors Targeting Botulinum Neurotoxin Through Structure-Based Virtual Screening of Drug Libraries and Molecular Dynamics Simulations.International journal of molecular sciences · 2026Article
- Investigations of Thiosemicarbazides as Botulinum Toxin Active-Site Inhibitors: Enzyme, Cellular, and Rodent Intoxication Studies.ACS infectious diseases · 2024Article
- Transformation of a Metal Chelate into a "Catch and Anchor" Inhibitor of Botulinum A Protease.International journal of molecular sciences · 2023Article
- Investigation of Salicylanilides as Botulinum Toxin Antagonists.ACS infectious diseases · 2022Article
- Identification of Slow-Binding Inhibitors of the BoNT/A Protease.ACS medicinal chemistry letters · 2022Article
- Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease.ACS medicinal chemistry letters · 2021Article
- Small Molecule Receptor Binding Inhibitors with In Vivo Efficacy against Botulinum Neurotoxin Serotypes A and E.International journal of molecular sciences · 2021Article
- Discovery of Dipeptides as Potent Botulinum Neurotoxin A Light-Chain Inhibitors.ACS medicinal chemistry letters · 2021Article
- Identification of 3-hydroxy-1,2-dimethylpyridine-4(1RSC medicinal chemistry · 2021Article
- An Integrated Pharmacophore/Docking/3D-QSAR Approach to Screening a Large Library of Products in Search of Future Botulinum Neurotoxin A Inhibitors.International journal of molecular sciences · 2020Article
- Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.Journal of medicinal chemistry · 2020Article
- Strategies to Counteract Botulinum Neurotoxin A: Nature's Deadliest Biomolecule.Accounts of chemical research · 2019Article
- Targeting Metalloenzymes for Therapeutic Intervention.Chemical reviews · 2019Review
- Methods for Hydroxamic Acid Synthesis.Current organic chemistry · 2019Article
- A novel role of C-terminus in introducing a functionally flexible structure critical for the biological activity of botulinum neurotoxin.Scientific reports · 2018Article
- Small molecule metalloprotease inhibitor with in vitro, ex vivo and in vivo efficacy against botulinum neurotoxin serotype A.Toxicon : official journal of the International Society on Toxinology · 2017Article
- Newly Designed Quinolinol Inhibitors Mitigate the Effects of Botulinum Neurotoxin A in Enzymatic, Cell-Based, and ex Vivo Assays.Journal of medicinal chemistry · 2017Article
- Picolinic acids as β-exosite inhibitors of botulinum neurotoxin A light chain.Chemical communications (Cambridge, England) · 2016Article
- Cellular Protection of SNAP-25 against Botulinum Neurotoxin/A: Inhibition of Thioredoxin Reductase through a Suicide Substrate Mechanism.Journal of the American Chemical Society · 2016Article
- Benzoquinones as inhibitors of botulinum neurotoxin serotype A.Bioorganic & medicinal chemistry · 2014Article
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Authors and funding
7 authors at 3 institutions in 1 country.
Funding
Abstract
Botulinum neurotoxins (BoNTs) are the most lethal biotoxins known to mankind and are responsible for the neuroparalytic disease botulism. Current treatments for botulinum poisoning are all protein based and thus have a limited window of treatment opportunity. Inhibition of the BoNT light chain protease (LC) has emerged as a therapeutic strategy for the treatment of botulism as it may provide an effective post exposure remedy. Using a combination of crystallographic and modeling studies a series of hydroxamates derived from 1-adamantylacetohydroxamic acid (3a) were prepared. From this group of compounds, an improved potency of about 17-fold was observed for two derivatives. Detailed mechanistic studies on these structures revealed a competitive inhibition model, with a K(i)=27 nM, which makes these compounds some of the most potent small molecule, non-peptidic BoNT/A LC inhibitors reported to date.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.