EXPERIMENTAL STUDY OF THE ENERGETIC AND GEOMETRIC PARAMETERS OF BETULINIC ACID
DOI:
https://doi.org/10.56292/SJFSU/vol31_iss5/a109Keywords:
betulinic acid, energy parameters, Avogadro, HyperChem, DFT, molecular docking, molecular dynamics.Abstract
This article presents the results of a study on the geometric and energy parameters of betulinic acid. The research utilized Avogadro, HyperChem, and ChemOffice software, as well as modern approaches such as DFT, MD, QSAR, and molecular docking. The calculations determined formation energies, bond lengths, differences in electronic structure parameters, and the degree of molecular stability. The obtained results reveal promising prospects for the application of betulinic acid in pharmaceuticals and nanomaterials.
References
1. Yu, P., Cao, W., & Wang, Y. (2024). Dynamics simulation and in vitro studies of betulinic acid derivative with liver X receptor. Journal of Biomolecular Structure and Dynamics, 42(13), 7014–7023. https://doi.org/10.1080/07391102.2023.2239924
2. Chen, S., Lin, B., Gu, J., et al. (2022). Binding interaction of betulinic acid to α-glucosidase and its allevia-tion on postprandial hyperglycemia. Molecules, 27(8), 2517. https://doi.org/10.3390/molecules27082517
3. Salau, V. F., Erukainure, O. L., Aljoundi, A., et al. (2024). Exploring the inhibitory action of betulinic acid on key digestive enzymes linked to diabetes via in vitro and computational models: Approaches to anti-diabetic mecha-nisms. SAR and QSAR in Environmental Research, 35(5), 411–432. https://doi.org/10.1080/1062936X.2024.2352729
4. Poorsargol, M., & Setayesh-Mehr, Z. (2022). Betulinic acid and 3-O-acetyl-betulinic acid interactions with external and internal surface of boron-nitride nanotubes: A DFT and MD investigation. Computational and Theoretical Chemistry, 1213, 113738. https://doi.org/10.1016/j.comptc.2022.113738
5. Dangroo, N. A., Moussa, Z., Alluhaibi, M. S., et al. (2025). Novel C-3 and C-20 derived analogs of betulinic acid as potent cytotoxic agents: Design, synthesis, in vitro and in silico studies. RSC Advances, 15, 15164–15177. https://doi.org/10.1039/D5RA01038A
Downloads
Published
Issue
Section
License
Copyright (c) 2025 Scientific journal of the Fergana State University
This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.
How to Cite
Most read articles by the same author(s)
- Kosimova Xurshida Rajabboyovna, Bozorboyeva Ozoda Abdurajab qizi, Malikova Nodiraxon Komiljon qizi, Raximov Samariddin Boxodirovich, Turg‘unboyev Shavkatjon Shuhratjon o‘g‘li, SORPTION-SPECTROPHOTOMETRIC DETERMINATION OF CU(II) ION , Scientific journal of the Fergana State University: No. 5 (2024): FarDU.Ilmiy xabarlar jurnali (Aniq va tabiiy fanlar)
- Toshov Akobir Asqarovich, Razzoqova Surayyo Razzoqovna, Karimov Islom, Jo‘rayev Abduqayum, Kadirova Shaxnoza Abduxalilovna, Turg‘unboyev Shavkatjon Shuhratjon o‘g‘li, Ro‘zimov Yodgor, SYNTHESIS, STRUCTURE AND PHYSICO-CHEMICAL PROPERTIES OF THE 2-METHYLTHIOBENZOXAZOLE COMPLEX WITH COBALT , Scientific journal of the Fergana State University: No. 5 (2024): FarDU.Ilmiy xabarlar jurnali (Aniq va tabiiy fanlar)
- , , , SYNTHESIS OF NEW SCHIFF BASES OF GOSSYPOL WITH BENZIDINE , Scientific journal of the Fergana State University: No. 4 (2022): Scientific journal of the Fergana State University