Acyl derivatives of 4-(6-PHENYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZIN-3-YL)ANILINE as potential inhibitors of 5BK8 and 9EHA proteins

BOBODO‘STOVA, Dilrabo, ABDURAZAKOV, Asqar, ISMAILOVA, Dilnoza

Ўзбекистон Миллий университети хабарлари · 2026-yil

Annotatsiya

This study investigated the binding properties of newly synthesized biologically active compounds toward the SHP2 proteintyrosine phosphatase using a molecular docking approach. The crystal structure of SHP2 (PDB ID: 5BK8) was obtained from theProtein Data Bank and prepared for docking calculations using BIOVIA Discovery Studio. Three-dimensional structures of theligands were generated and geometrically optimized with Avogadro software. Molecular docking simulations were carried outusing AutoDock Vina to evaluate binding affinity, ligand orientation, and interactions with amino acid residues located in the activesite of the protein. The obtained results demonstrated favorable binding characteristics of the investigated compounds and suggestedtheir potential as promising SHP2 inhibitors. These findings provide a theoretical basis for further experimental validation and thedevelopment of novel targeted therapeutic agents

Maqola ma’lumotlari
MualliflarBOBODO‘STOVA, Dilrabo, ABDURAZAKOV, Asqar, ISMAILOVA, Dilnoza
JurnalЎзбекистон Миллий университети хабарлари
NashriyotЎзбекистон Миллий университети
ISSN2181-7324, 3093-8996
Nashr sanasi2026-09-14
Jild3
Son3.3
Betlar289-292
TilIngliz
Indeksga qo‘shilgan2026-09-17

Maqolaning asl sahifasi

Kalit so‘zlar

SHP2, molecular docking, AutoDock Vina, 5BK8, inhibitor, protein–ligand interaction, virtual screening., SHP2, молекулярный докинг, AutoDock Vina, 5BK8, ингибитор, взаимодействие белок-лиганд, виртуальный скрининг., SHP2, molekulyar docking, AutoDock Vina, 5BK8, ingibitor, oqsil-ligand o'zaro ta'siri, virtual skrining.

Iqtibos keltirish

APABOBODO‘STOVA, Dilrabo, ABDURAZAKOV, Asqar, & ISMAILOVA, Dilnoza (2026). ACYL DERIVATIVES OF 4-(6-PHENYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZIN-3-YL)ANILINE AS POTENTIAL INHIBITORS OF 5BK8 AND 9EHA PROTEINS. Ўзбекистон Миллий университети хабарлари, 3(3.3), 289-292. https://journals.nuu.uz/index.php/actanuuz/article/view/14889
GOST (OAK)BOBODO‘STOVA, Dilrabo, ABDURAZAKOV, Asqar, ISMAILOVA, Dilnoza ACYL DERIVATIVES OF 4-(6-PHENYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZIN-3-YL)ANILINE AS POTENTIAL INHIBITORS OF 5BK8 AND 9EHA PROTEINS // Ўзбекистон Миллий университети хабарлари. – 2026. – T. 3, № 3.3. – P. 289-292.
MLABOBODO‘STOVA, Dilrabo, ABDURAZAKOV, Asqar, and ISMAILOVA, Dilnoza. “ACYL DERIVATIVES OF 4-(6-PHENYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZIN-3-YL)ANILINE AS POTENTIAL INHIBITORS OF 5BK8 AND 9EHA PROTEINS.” Ўзбекистон Миллий университети хабарлари, 3(3.3), 289-292, 2026. https://journals.nuu.uz/index.php/actanuuz/article/view/14889
ChicagoBOBODO‘STOVA, Dilrabo, ABDURAZAKOV, Asqar, and ISMAILOVA, Dilnoza. “ACYL DERIVATIVES OF 4-(6-PHENYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZIN-3-YL)ANILINE AS POTENTIAL INHIBITORS OF 5BK8 AND 9EHA PROTEINS.” Ўзбекистон Миллий университети хабарлари, 3(3.3), 289-292 (2026). https://journals.nuu.uz/index.php/actanuuz/article/view/14889
HarvardBOBODO‘STOVA, Dilrabo, ABDURAZAKOV, Asqar, and ISMAILOVA, Dilnoza (2026) ‘ACYL DERIVATIVES OF 4-(6-PHENYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZIN-3-YL)ANILINE AS POTENTIAL INHIBITORS OF 5BK8 AND 9EHA PROTEINS’, Ўзбекистон Миллий университети хабарлари, 3(3.3), 289-292. https://journals.nuu.uz/index.php/actanuuz/article/view/14889
BibTeX
@article{bobodostovadilrabo2026,
  title = {ACYL DERIVATIVES OF 4-(6-PHENYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZIN-3-YL)ANILINE AS POTENTIAL INHIBITORS OF 5BK8 AND 9EHA PROTEINS},
  author = {BOBODO‘STOVA, Dilrabo and ABDURAZAKOV, Asqar and ISMAILOVA, Dilnoza},
  journal = {Ўзбекистон Миллий университети хабарлари},
  year = {2026},
  volume = {3},
  number = {3.3},
  pages = {289-292},
  url = {https://journals.nuu.uz/index.php/actanuuz/article/view/14889}
}

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