Maqola

From Molecular Docking to Vascular Ion Channel Mechanisms: A Multitarget Study Of Zs 22-12

Shakhnoza Bakirova3Departmentof Humanphysiology, National University of Uzbekistan named after Mirzo Ulugbek, Tashkent, UzbekistanShahzod Ergashev2Department of Terpenoids and Phenolic Compounds Laboratory, Institute of the Chemistry of Plant Substances named after Academician S. Yu. Yunusov, UzbekistanSirojiddin Omonturdiyev1Department of Plantcytoprotectors, Institute of Bioorganic Chemistry named after A.S.Sadykov, Tashkent, UzbekistanIzzatullo Abdullaev1Department of Plantcytoprotectors, Institute of Bioorganic Chemistry named after A.S.Sadykov, Tashkent, UzbekistanAbdullaev Izzatullo Ziyoyiddin ugli1Department of Plantcytoprotectors, Institute of Bioorganic Chemistry named after A.S.Sadykov, Tashkent, UzbekistanUlugbek Gayibov1Department of Plantcytoprotectors, Institute of Bioorganic Chemistry named after A.S.Sadykov, Tashkent, UzbekistanShakhlokhon Ismailova4Deparment of Human physiology, Namangan State University, UzbekistanKamila Eshbakova2Department of Terpenoids and Phenolic Compounds Laboratory, Institute of the Chemistry of Plant Substances named after Academician S. Yu. Yunusov, UzbekistanMirtaza Allamuratov3Departmentof Humanphysiology, National University of Uzbekistan named after Mirzo Ulugbek, Tashkent, Uzbekistan

2026

Ochiq kirishOlmos

Litsenziya: cc-by

Manbada oʻqishdoi.org(yangi oynada ochiladi)

ABI

Annotatsiya

Intracellular calcium homeostasis plays a crucial role in the regulation of vascular smooth muscle contraction and relaxation. The present study investigated the vasorelaxant activity of ZS 22-12 using isolated rat thoracic aorta and in silico molecular docking analysis of calcium-regulating proteins. ZS 22-12 significantly inhibited both KCl-induced and phenylephrine-induced contractions in a concentration-dependent manner, with IC₅₀ values of 38.23 μM and 43.57 μM, respectively. Comparative studies with verapamil and phentolamine suggested that the vasorelaxant effect of ZS 22-12 is associated with modulation of voltage-dependent and receptor-operated calcium signaling pathways. To clarify the molecular mechanism, docking studies were performed with the Ca²⁺ L-type channel, Ca²⁺ R-type channel, SERCA, ryanodine receptor (RyR), Na⁺/Ca²⁺ exchanger (NCX), and Ca²⁺-ATPase. ZS 22-12 demonstrated stable binding affinities toward all investigated targets through hydrophobic, hydrogen bonding, and electrostatic interactions. Overall, the combined in vitro and in silico results indicate that ZS 22-12 acts as a multitarget modulator of calcium homeostasis in vascular smooth muscle cells and exhibits promising vasorelaxant potential.

Hali tarjima qilinmagan

Identifikatorlar

DOI: 10.13005/bpj/3468

Iqtiboslar va manbalar

0 ta iqtibos36 ta foydalanilgan manba