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Utilizing a drug-repositioning bioinformatics-based approach, potential inhibitors of these neurotoxins were identified from Food and Drug Administration (FDA)-approved drugs. Through virtual screening and subsequent molecular dynamics simulations, their ability to stabilize the peptides over time was evaluated. Among the compounds scrutinized, bolazine emerged as a promising candidate, demonstrating significant affinity for both neurotoxins, indicating potential dual inhibitory activity. Molecular dynamics simulations further corroborated the enhanced stability of bolazine complexes compared to neurotoxins alone. These findings suggest the feasibility of repurposing existing drugs to develop new therapeutic strategies to treat scorpion envenomation. Such interventions hold promise in alleviating the severe health repercussions of scorpion stings and meeting the urgent demand for effective remedies in affected communities.<\/jats:p>","DOI":"10.1177\/11779322241294130","type":"journal-article","created":{"date-parts":[[2024,11,7]],"date-time":"2024-11-07T07:12:07Z","timestamp":1730963527000},"update-policy":"https:\/\/doi.org\/10.1177\/sage-journals-update-policy","source":"Crossref","is-referenced-by-count":1,"title":["Drug Repositioning for Scorpion Envenomation Treatment Through Dual Inhibition of Chlorotoxin and Leiurotoxin"],"prefix":"10.1177","volume":"18","author":[{"ORCID":"https:\/\/orcid.org\/0009-0008-9167-5228","authenticated-orcid":false,"given":"Gaouzi","family":"Zainab","sequence":"first","affiliation":[{"name":"Mohammed VI Center for Research and Innovation, Rabat, Morocco"},{"name":"Mohammed VI University of Sciences and Health, Casablanca, Morocco"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Abbou","family":"Hanane","sequence":"additional","affiliation":[{"name":"Mohammed VI Center for Research and Innovation, Rabat, Morocco"},{"name":"Mohammed VI University of Sciences and Health, Casablanca, Morocco"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zegrari","family":"Razana","sequence":"additional","affiliation":[{"name":"Mohammed VI Center for Research and Innovation, Rabat, Morocco"},{"name":"Mohammed VI University of Sciences and Health, Casablanca, Morocco"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Eljaoudi","family":"Rachid","sequence":"additional","affiliation":[{"name":"Mohammed VI Center for Research and Innovation, Rabat, Morocco"},{"name":"Biotechnology Lab (MedBiotech), Bioinova Research Center, Medical and Pharmacy School, Mohammed V University in Rabat, Rabat, Morocco"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Diawara","family":"Idrissa","sequence":"additional","affiliation":[{"name":"Mohammed VI Center for Research and Innovation, Rabat, Morocco"},{"name":"Mohammed VI University of Sciences and Health, Casablanca, Morocco"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hakmi","family":"Mohammed","sequence":"additional","affiliation":[{"name":"Mohammed VI Center for Research and Innovation, Rabat, Morocco"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mkamel","family":"Mouad","sequence":"additional","affiliation":[{"name":"Mohammed VI Center for Research and Innovation, Rabat, Morocco"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"179","published-online":{"date-parts":[[2024,11,7]]},"reference":[{"key":"bibr1-11779322241294130","doi-asserted-by":"publisher","DOI":"10.3390\/toxins14030219"},{"key":"bibr2-11779322241294130","doi-asserted-by":"publisher","DOI":"10.1016\/j.sjbs.2020.08.048"},{"key":"bibr3-11779322241294130","doi-asserted-by":"publisher","DOI":"10.1016\/j.toxicon.2020.12.017"},{"key":"bibr4-11779322241294130","doi-asserted-by":"publisher","DOI":"10.1590\/S1678-91992007000200005"},{"key":"bibr5-11779322241294130","doi-asserted-by":"publisher","DOI":"10.1016\/j.wem.2017.09.011"},{"key":"bibr6-11779322241294130","doi-asserted-by":"publisher","DOI":"10.1152\/ajpcell.1993.264.2.C361"},{"key":"bibr7-11779322241294130","unstructured":"Leiurus quinquestriatus\n                      venom inhibits different kinds of Ca2+-dependent K+ channels. 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