Pharmacokinetics and toxicity profiles of novel inhibitors, assessed through SwissADME and pkCSM serves.
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posted on 2025-03-04, 18:28 authored by Saadia Jabeen, Muhammad Umer Khan, Hasan Ejaz, Shakeel Waqar, Aisha Farhana, Muharib Alruwaili, Yasir Alruwaili, Abualgasim Elgaili Abdalla, Sahar Mudassar, Qurban AliPharmacokinetics and toxicity profiles of novel inhibitors, assessed through SwissADME and pkCSM serves.
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identifying novel inhibitorsidentify potential inhibitorsdensity function theoryfree binding energycombat fungal infectionsantifungal drug developmentpharmacophore mapping performedcomputational studies indicatedcandida albicans resistant mutant cypcandida albicanspharmacophore ligandcomputational studyalbicans mutant cypvivo invitro albicans )virtual screeninguseful antagonisttargeting cypstudy focusedsix compoundspubchem librariespharmacokinetic propertiesoral cavityopportunistic pathogennormal inhabitantmutant proteinmolecular dynamiclead compoundimmunocompromised individualsgastrointestinal tractdynamic behaviorcompound librariescheck drugbest interactionbased modelalso calculatedadmet analysisactive site70 kcal022 hits
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