LIGAND RETSEPTORLAR BILAN BOG’LANISH
Kalit so‘zlar:
G-protein bilan bog‘liq retseptorlar (GPCR), Ion kanal retseptorlari, tirozin kinaza retseptorlari (RTK), AutoDock Tools (ADT), molekulyar doking.Abstrak
Tirik organizmlarda bu o‘zaro ta’sirlar hujayraviy signal uzatish, metabolik yo‘llarni faollashtirish hamda farmakologik ta’sirlarni yuzaga chiqarishda muhim rol o‘ynaydi. Tadqiqotda ligand-retseptor bog‘lanishini aniqlash va baholash uchun AutoDock dasturiy ta'minotidan foydalanildi. Dastur yordamida turli ligandlar maqsad retseptor bilan molekulyar docking orqali modellashtirildi hamda ularning bog‘lanish energiyasi, affiniteti va faol markazlarga joylashuvi tahlil qilindi.
References
Forli S., Huey R., Pique M. E., Sanner M. F., Goodsell D. S., & Olson A. J. Computational protein–ligand docking and virtual drug screening with the AutoDock suite. Nature Protocols, (2016). https://doi.org/10.1038/nprot.2016.051
Kitchen D. B., Decornez H., Furr J. R., & Bajorath J. (2004). Docking and scoring in virtual screening for drug discovery: Methods and applications. Nature Reviews Drug Discovery, (2004). https://doi.org/10.1038/nrd1549
Leach A. R. (2001). Molecular Modelling: Principles and Applications. 2nd Edition. Pearson Education Limited.
Lengauer T., & Rarey, M. Computational methods for biomolecular docking. Current Opinion in Structural Biology, (1996). https://doi.org/10.1016/S0959-440X(96)80061-3
Morris G. M., Goodsell, D. S., Halliday R. S., Huey, R., Hart W. E., Belew R. K., & Olson, A. J. (1998). Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function. Journal of Computational Chemistry, (1998). https://doi.org/10.1002/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B
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