ArticleScientific reports2022
Identification of key interactions of benzimidazole resistance-associated amino acid mutations in Ascaris β-tubulins by molecular docking simulations.
Article in Scientific reports, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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9 citing papers in PubMed, 21 citations in OpenAlex.
- Chemical investigation and anti-trichinellosis activity of some ficus species leaves: in silico supported in vitro study.BMC complementary medicine and therapies · 2026Article
- Twenty Years of Benzimidazole Scaffold Optimization in Antiparasitic Drug Discovery.ChemMedChem · 2026Review
- Synthesis and Antiparasitic Activities of New Organometallic Derivatives of the Benzimidazole Anthelmintic Drugs.Chembiochem : a European journal of chemical biology · 2026Article
- Fermentable fiber supplementation in pigs promotes anti-parasitic defense mechanisms and impacts parasite growth inFrontiers in immunology · 2026Article
- A 5-Year Survey on Multiple Targeted Benzimidazole Hybrids.Chemistry & biodiversity · 2026Review
- Preclinical Evaluation of Fenbendazole for ControllingAnimals : an open access journal from MDPI · 2025Article
- Unraveling the mechanisms of benzimidazole resistance in hookworms: A molecular docking and dynamics study.Journal, genetic engineering & biotechnology · 2025Article
- Benzimidazole resistance-associated mutations improve theVeterinary world · 2024Article
- Worldwide absence of canonical benzimidazole resistance-associated mutations within β-tubulin genes from Ascaris.Parasites & vectors · 2024Article
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4 authors at 2 institutions in 1 country.
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No grant is acknowledged in the PubMed record.
Abstract
Ascaris species are soil-transmitted helminths that infect humans and livestock mainly in low and middle-income countries. Benzimidazole (BZ) class drugs have predominated for many years in the treatment of Ascaris infections, but persistent use of BZs has already led to widespread resistance in other nematodes, and treatment failure is emerging for Ascaris. Benzimidazoles act by binding to β-tubulin proteins and destabilising microtubules. Three mutations in the β-tubulin protein family are associated with BZ resistance. Seven shared β-tubulin isotypes were identified in Ascaris lumbricoides and A. suum genomes. Benzimidazoles were predicted to bind to all β-tubulin isotypes using in silico docking, demonstrating that the selectivity of BZs to interact with one or two β-tubulin isotypes is likely the result of isotype expression levels affecting the frequency of interaction. Ascaris β-tubulin isotype A clusters with helminth β-tubulins previously shown to interact with BZ. Molecular dynamics simulations using β-tubulin isotype A highlighted the key role of amino acid E198 in BZ-β-tubulin interactions. Simulations indicated that mutations at amino acids E198A and F200Y alter binding of BZ, whereas there was no obvious effect of the F167Y mutation. In conclusion, the key interactions vital for BZ binding with β-tubulins have been identified and show how mutations can lead to resistance in nematodes.
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