MOLECULAR DOCKING ANALYSIS OF SELECTED COMPONENTS OF THE COMBINED ENTERIC-SOLUBLE DOSAGE FORM “BIOMAYRIN” AGAINST KEY MYCOBACTERIUM TUBERCULOSIS TARGETS
DOI:
https://doi.org/10.65164/0qtc0q45Kalit so‘zlar:
Biomayrin, molekulyar docking, rifampitsin, izoniazid, etambutol, Mycobacterium tuberculosis, SwissADME.Abstrak
Ushbu ishda kombinatsiyalangan ichakda eruvchan “Biomayrin” dori shaklining ayrim faol komponentlari rifampitsin, izoniazid va etambutolning Mycobacterium tuberculosis ning muhim oqsil nishonlari bilan o‘zaro ta’siri molekulyar docking usuli yordamida o‘rganildi. Rifampitsin 5UHB, izoniazid 2NV6, etambutol esa 7BVF strukturasi bilan docking qilindi. Natijalarga ko‘ra, rifampitsin eng qulay bog‘lanish natijasini ko‘rsatdi, izoniazid va etambutol esa o‘rtacha darajadagi bog‘lanish moyilligini namoyon qildi. SwissADME tahlili izoniazid va etambutol uchun maqbul fizik-kimyoviy hamda farmakokinetik ko‘rsatkichlarni ko‘rsatdi, rifampitsin esa tuzilishining murakkabligi sababli qoidaviy drug-likeness mezonlariga kamroq mos kelishini namoyon etdi. Olingan ma’lumotlar “Biomayrin” tarkibidagi ayrim moddalarning molekulyar darajadagi xatti-harakatini izohlashga va ularning biologik nishonlar bilan o‘zaro ta’sirini tushuntirishga xizmat qiladi.
Havolalar
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