Keywords
Ligand-Multiprotein doking
kurkumin
piperin.
How to Cite
Abstract
Mazkur ishda muallif tomonidan tuzilgan “Ligand-Multiprotein” yordamchi dasturidan foydalanib, tabiiy birikmalar - piperin va kurkuminning tanlangan oqsillarga bogʻlanish energiyalari AutoDock Vina dasturida oʻrganildi. Ligand-Multiprotein yordamchi dasturi bitta ligand molekulasining ketma-ket 30ta va undan ortiq oqsillarga bogʻlanish energiyalarini AutoDock Vina dasturi yordamida aniqlash imkonini beradi. Kurkumin va piperin misolida olib borilgan tadqiqotlar ba’zi nishon oqsillarining toʻgʻri tanlanganligini koʻrsatdi. Tadqiqotlar natijasida aniqlangan faollik turlari ushbu birikmalar uchun adabiyotlarda keltirilgan antibakterial, saratonga qarshi va antixolinesteraza faolligi haqidagi ma'lumotlarga mos kelishi aniqlandi.References
1. Agamah F.E., Mazandu G.K., Hassan R., Bope C.D., Thomford N.E., Ghansah A. Chimusa E.R. Computational/in silico methods in drug target and lead prediction // Briefings in Bioinformatics. −2020. –Vol. 21(5).−P.1663-1675.
2. Snow S.M., Sharifi-Rad J., Setzer W.N. The Search for Herbal Antibiotics: An In-Silico Investigation of Antibacterial Phytochemicals // Antibiotics (Basel). -2016. Vol.5(3). -P30.
3. Жолдасов Ж., Ешимбетов А.Г., Ашуров Ж.М., Ибрагимов Б.Т. Данопревир, ивермектин, лопинавир, осельтамивир, ремдесивир ва ритонавир препаратларининг SARS COV-2 S-Spike оқсилига боғланишларини AutoDock ва AutoDock Vina дастурларида ўрганиш // НамДУ илмий ахборотномаси. −2022. −№10. –B.130-136.
4. Parasuraman S. Prediction of activity spectra for substances // J. Pharmacol. Pharmacother. −2011. −Vol.2(1). –P.52.
5. Ешимбетов А.Г., Брусков В.П., Абдуллаев Н.Дж. Скрининг ингибиторов АХЭ из базы данных ZINC с помощью AutoDock Vina/VSDK // Вестник ЮКГФА. −2014. −Том 4. −№3. −29-31.
6. Nagar P.R., Gajjar N.D., Dhameliya T.M. In search of SARS CoV-2 replication inhibitors: Virtual screening, molecular dynamics simulations and ADMET analysis // J. Mol. Struct. −2021. −Vol.1246. −P.131190.
7. Trott O., Olson A.J., AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading // J. Comput. Chem. −2010. −Vol.31. −455-461.
8. Liu Y., Yang X., Gan J., Chen S., Xiao Z.X., Cao Y. CB-Dock2: Improved protein-ligand blind docking by integrating cavity detection, docking and homologous template fitting // Nucleic Acids Research. −2022. −50(W1). −W159-W164.
9. Kim S., Chen J., Cheng T., Gindulyte A. et al. PubChem 2025 update // Nucleic Acids Research. −2025. –Vol.53. –P.1516–1525
10. Morris G.M., Huey R., Lindstrom W., Sanner M.F. et. al. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility // J. Comput. Chem. −2009. −Vol.30. –P.2785−2791.
11. Hewlings S.J., Kalman D.S. Curcumin: A Review of Its Effects on Human Health // Foods. −2017. −Vol.6(10). −P.92.
12. Tripathi A.K., Ray A.K., Mishra S.K. Molecular and pharmacological aspects of piperine as a potential molecule for disease prevention and management: evidence from clinical trials // Beni-Suef Univ. J. Basic Appl. Sci. −2022. –Vol.11. –P.16.
13. Ashokkumar K., Murugan M., Dhanya M.K. et al. Phytochemistry and therapeutic potential of black pepper [Piper nigrum (L.)] essential oil and piperine: a review // Clin. Phytosci. −2021. −Vol.7. −P.52.
14. Teow S.Y., Liew K., Ali S.A., Khoo A.S., Peh S.C. Antibacterial Action of Curcumin against Staphylococcus aureus: A Brief Review // J. Trop. Med. −2016. –P.2853045.
15. Diaz-Guerrero M, López-Jácome L.E., Franco-Cendejas R., Coria-Jiménez R., Martínez-Zavaleta M.G., González-Pedrajo B., Huelgas-Méndez D., García-Contreras R. Curcumin inhibits type III secretion of Pseudomonas aeruginosa // PeerJ. −2025. −Vol.13. −e19725.
16. Tyagi P., Singh M., Kumari H., Kumari A., Mukhopadhyay K. Bactericidal activity of curcumin I is associated with damaging of bacterial membrane // PLoS One. −2015. −Vol.10(3). −e0121313.
17. A.K. Pandey, A.S. Silva, R. Varshney, M.L. Chávez-González, P. Singh Curcuma-based botanicals as crop protectors: From knowledge to application in food crops // Current Research in Biotechnology. −2021. −Vol.3. −P.235−248.
18. Lin F., Li J., Zhou L., Yi R., Chen Y., He Sh. Targeting vulnerability in tumor therapy: Dihydroorotate dehydrogenase // Life Sciences. −2025. −Vol.371. −P.123612.
19. Eshimbetov A., Rasulov A., Palvanov N., Kudiyarova A., Ashurov J., Ibragimov B. Molecular docking and molecular dynamics analysis of selected anticholinesterase inhibitors from the ZINC database // New Mater. Compd. Appl. −2026. −Vol.10. − N1. –P.105−120.
20. Stasiłowicz A., Tykarska E., Lewandowska K., Kozak M. et al. Hydroxypropyl-β-cyclodextrin as an effective carrier of curcumin – piperine nutraceutical system with improved enzyme inhibition properties // J. Enzyme Inhib. Med. Chem. –2020. –Vol.35. –P.1811–1821
21. Das S., Paul P., Dastidar D.G. et al. Piperine Exhibits Potential Antibiofilm Activity Against Pseudomonas aeruginosa by Accumulating Reactive Oxygen Species, Affecting Cell Surface Hydrophobicity and Quorum Sensing. Appl Biochem Biotechnol. –2023. –Vol.195(5). –P.3229–3256.
22. Yu S., Pu J., Liu K., He C., Yang F., Chen K. et al. Curcumin mediates oxidative stress to play an anti-fibrotic role, focusing on liver, renal, myocardial and pulmonary fibrosis // Front Pharmacol. –2025. –Vol.16. –P.1636538.
23. Wali A. F., Ali S., Rashid S., Alsaffar R. M., Arafah A. et al. Attenuation of oxidative damage-associated hepatotoxicity by piperine in CCl₄-induced liver fibrosis // J. King Saud Univ. –Sci. –2021. –Vol.33(8). –P.101629.
24. Dagogo-Jack I., Shaw A. T. Tumour heterogeneity and resistance to cancer therapies // Nat. Rev. Clin. Oncol. –2018. –Vol.15. –P.81–94.
25. Gupta A., Chaudhary N., Kakularam K.R., Pallu R., Polamarasetty A. The Augmenting Effects of Desolvation and Conformational Energy Terms on the Predictions of Docking Programs against mPGES-1 // PLoS One. –2015. –Vol.10(8). -e0134472.
26. https://www.genomatics.net/guides/autodock-vina-tutorial-beginners
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Copyright (c) 2026 Alisher Gulumbayevich Yeshimbetov (Author)