In silico evaluation of tetracyclic THIENO[3,2-d]PYRIMIDINONES as potential CYCLOOXYGENASE-2 inhibitors

A. Nasrullaev, A. Buronov, Sh. Gaybullaev, Kh. Bozorov

Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi · 2026-yil

Annotatsiya

In the present study, a series of tetracyclic thieno[3,2-d]pyrimidin derivatives were subjected to molecular docking simulations to evaluate their binding affinity toward the cyclooxygenase-2 (COX-2) active site. Docking results revealed several promising compounds exhibiting stable binding conformations and favorable interactions, including hydrogen bonds, hydrophobic contacts, and π–π stacking with key amino acid residues within the catalytic pocket. Notably, the highest-ranking derivatives formed crucial interactions with COX-2, suggesting their potential as selective inhibitors. These findings highlight the tetracyclic thieno[3,2-d]pyrimidine scaffold as a valuable platform for the rational design and optimization of novel COX-2 inhibitors.

Maqola ma’lumotlari
MualliflarA. Nasrullaev, A. Buronov, Sh. Gaybullaev, Kh. Bozorov
JurnalSamarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi
NashriyotСамарқанд давлат университети
ISSN2091-5446, 2181-1296
Nashr sanasi2026-01-01
Jild1
Son2
Betlar72-76
TilIngliz
Ilmiy sohaKimyo
DOI10.59251/2181-3973.2025.v1.138.1.3774
Indeksga qo‘shilgan2026-09-02

DOI: 10.59251/2181-3973.2025.v1.138.1.3774 · Maqolaning asl sahifasi

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Kimyo

Iqtibos keltirish

APAA. Nasrullaev, A. Buronov, Sh. Gaybullaev, & Kh. Bozorov (2026). IN SILICO EVALUATION OF TETRACYCLIC THIENO[3,2-d]PYRIMIDINONES AS POTENTIAL CYCLOOXYGENASE-2 INHIBITORS. Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 1(2), 72-76. https://doi.org/10.59251/2181-3973.2025.v1.138.1.3774
GOST (OAK)A. Nasrullaev va b. IN SILICO EVALUATION OF TETRACYCLIC THIENO[3,2-d]PYRIMIDINONES AS POTENTIAL CYCLOOXYGENASE-2 INHIBITORS // Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi. – 2026. – T. 1, № 2. – P. 72-76. – DOI: 10.59251/2181-3973.2025.v1.138.1.3774.
MLAA. Nasrullaev, A. Buronov, Sh. Gaybullaev, and Kh. Bozorov. “IN SILICO EVALUATION OF TETRACYCLIC THIENO[3,2-d]PYRIMIDINONES AS POTENTIAL CYCLOOXYGENASE-2 INHIBITORS.” Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 1(2), 72-76, 2026. https://doi.org/10.59251/2181-3973.2025.v1.138.1.3774
ChicagoA. Nasrullaev, A. Buronov, Sh. Gaybullaev, and Kh. Bozorov. “IN SILICO EVALUATION OF TETRACYCLIC THIENO[3,2-d]PYRIMIDINONES AS POTENTIAL CYCLOOXYGENASE-2 INHIBITORS.” Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 1(2), 72-76 (2026). https://doi.org/10.59251/2181-3973.2025.v1.138.1.3774
HarvardA. Nasrullaev, A. Buronov, Sh. Gaybullaev, and Kh. Bozorov (2026) ‘IN SILICO EVALUATION OF TETRACYCLIC THIENO[3,2-d]PYRIMIDINONES AS POTENTIAL CYCLOOXYGENASE-2 INHIBITORS’, Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi, 1(2), 72-76. https://doi.org/10.59251/2181-3973.2025.v1.138.1.3774
BibTeX
@article{anasrullaev2026,
  title = {IN SILICO EVALUATION OF TETRACYCLIC THIENO[3,2-d]PYRIMIDINONES AS POTENTIAL CYCLOOXYGENASE-2 INHIBITORS},
  author = {A. Nasrullaev and A. Buronov and Sh. Gaybullaev and Kh. Bozorov},
  journal = {Samarqand davlat universiteti ilmiy tadqiqotlar axborotnomasi},
  year = {2026},
  volume = {1},
  number = {2},
  pages = {72-76},
  doi = {10.59251/2181-3973.2025.v1.138.1.3774},
  url = {https://doi.org/10.59251/2181-3973.2025.v1.138.1.3774}
}

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