2(3-OKSO-2H-BENZO (1,4) TIAZIN 2 IL)SIRKA KISLOTANING BIOLOGIK FAOLLIKLARINI PASS ONLINE HAMDA MOLEKULYAR DOKING YORDAMIDA ORGANISH
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Ushbu maqolada 2(3-okso-2H-benzo[1,4]tiazin-2-il)sirka kislotaning potentsial biologik faolligi in silico usullar yordamida
o‘rganildi. Molekulaning farmakologik xususiyatlari, toksiklik darajasi va ADMET parametrlarini baholash uchun PASS Online
va unga integratsiyalangan prediktiv modellar qo‘llanildi. Faol markazlarga yaqinligi, ligand–retseptor o‘zaro ta’sirlari hamda
bog‘lanish energiyasini aniqlash maqsadida bir qator maqsadli ferment va oqsillar bilan molekulyar doking hisob-kitoblari amalga
oshirildi. Natijalar ushbu birikmaning antibakterial, antioksidant va potentsial antitumor faollikka ega bo‘lish ehtimoli yuqoriligini
ko‘rsatdi. Shuningdek, doking natijalari uning faol farmakofor guruhlar orqali barqaror vodorod bog‘lari va idrofobik o‘zaro
ta’sirlarni hosil qilishini tasdiqladi. Tadqiqot natijalari ushbu birikmaning kelgusida farmatsevtik tadqiqotlarda istiqbolli ligand
sifatida ko‘rib chiqilishi mumkinligini ko‘rsatadi.
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6. Chen R., Zhao J. Cytotoxicity of hydroxylated BTZ derivatives // Eur. J. Med. Chem. – 2020. – Vol. 198. – P. 112395.
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