دراسة نظرية حاسوبية لتأثير المركبات الطبيعية على إنزيم 14-ألفا-ديميثيلاز كاستراتيجية علاجية ضد داء الفطار المخاطي

[1] A. K. Singh et al., “Mucormycosis in COVID-19: A systematic review of cases reported worldwide and in India,” Diabetes & Metabolic Syndrome: Clinical Research & Reviews, vol. 15, no. 4, Art. no. 102146, Jul. 2021, doi: 10.1016/j.dsx.2021.05.019.

[2] K. J. Kwon-Chung, “Taxonomy of fungi causing mucormycosis and entomophthoramycosis (zygomycosis) and nomenclature of the disease: Molecular mycologic perspectives,” Clinical Infectious Diseases, vol. 54, suppl. 1, pp. S8–S15, Feb. 2012, doi: 10.1093/cid/cir864.

[3] S. Nagalli and N. S. Kikkeri, “Mucormycosis in COVID-19: A systematic review of literature,” Le Infezioni in Medicina, vol. 29, no. 4, pp. 504–512, Dec. 2021, doi: 10.53854/liim-2904-2.

[4] A. S. Ibrahim et al., “Pathogenesis of mucormycosis,” Clinical Infectious Diseases, vol. 54, suppl. 1, pp. S16–S22, Feb. 2012, doi: 10.1093/cid/cir865.

[5] N. V. Sipsas et al., “Therapy of mucormycosis,” Journal of Fungi, vol. 4, no. 3, Art. no. 90, Jul. 2018, doi: 10.3390/jof4030090.

[6] K. Brunet and B. Rammaert, “Mucormycosis treatment: Recommendations, latest advances, and perspectives,” Journal de Mycologie Médicale, vol. 30, no. 3, Art. no. 101007, Sep. 2020, doi: 10.1016/j.mycmed.2020.101007.

[7] M. O. Gessner, “Ergosterol as a measure of fungal biomass,” in Methods to Study Litter Decomposition: A Practical Guide, 2nd ed., F. Bärlocher, Switzerland: Springer, 2020, pp. 247–255, doi: 10.1007/978-3-030-30515-4_27.

[8] L. B. Tulloch et al., “Sterol 14-alpha demethylase (CYP51) activity in Leishmania donovani is likely dependent upon cytochrome P450 reductase 1,” PLoS Pathogens, vol. 20, no. 7, Art. no. e1012382, Jul. 2024, doi: 10.1371/journal.ppat.1012382.

[9] J. A. Como and W. E. Dismukes, “Oral azole drugs as systemic antifungal therapy,” The New England Journal of Medicine, vol. 330, no. 4, pp. 263–272, Jan. 1994, doi: 10.1056/NEJM199401273300407.

[10] T. I. Adelusi et al., “Molecular modeling in drug discovery,” Informatics in Medicine Unlocked, vol. 29, Art. no. 100880, 2022, doi: 10.1016/j.imu.2022.100880.

[11] R. Di Santo, “Natural products as antifungal agents against clinically relevant pathogens,” Natural Product Reports, vol. 27, no. 7, pp. 1084–1098, 2010, doi: 10.1039/B914961A.

[12] S. Abbaszadeh et al., “Antifungal efficacy of thymol, carvacrol, eugenol, and menthol as alternative agents to control the growth of food-relevant fungi,” Journal de Mycologie Médicale, vol. 24, no. 2, pp. e51–e56, Jun. 2014, doi: 10.1016/j.mycmed.2014.01.063.

[13] S. Vengurlekar, R. Sharma, and P. Trivedi, “Efficacy of some natural compounds as antifungal agents,” Pharmacognosy Reviews, vol. 6, no. 12, pp. 91–98, Jul. 2012, doi: 10.4103/0973-7847.99942.

[14] B. C. Monk et al., “Fungal lanosterol 14α-demethylase: A target for next-generation antifungal design,” Biochimica et Biophysica Acta—Proteins and Proteomics, vol. 1868, no. 3, Art. no. 140206, Mar. 2020, doi: 10.1016/j.bbapap.2019.02.008.

[15] Deepika and P. K. Maurya, “Health benefits of quercetin in age-related diseases,” Molecules, vol. 27, no. 8, Art. no. 2498, 2022, doi: 10.3390/molecules27082498.

[16] M. M. Khamis, D. J. Adamko, and A. El-Aneed, “Mass spectrometric based approaches in urine metabolomics and biomarker discovery,” Mass Spectrometry Reviews, vol. 36, no. 2, pp. 115–134, 2017, doi: 10.1002/mas.21455.

[17] S. R. M. Ibrahim, G. A. Mohamed, A. I. M. Khedr, M. F. Zayed, and M. F. El-Khadragy, “Natural tamarixetin: Biological activities and potential therapeutic applications,” Molecules, vol. 27, no. 3, Art. no. 745, 2022.

[18] D. Strack, T. Vogt, and W. Schliemann, “Recent advances in betalain research,” Phytochemistry, vol. 62, no. 3, pp. 247–269, 2003, doi: 10.1016/S0031-9422(02)00564-2.

[19] M. Zhao, X. Li, Y. Shao, H. Chen, Y. Zhou, et al., “Anticancer potential of vinca alkaloids and related compounds: A review,” Phytomedicine, vol. 90, Art. no. 153660, 2021.

[20] Y. Wang, Y. Sun, D. Li, M. Zhang, J. Wang, Z. Ma, et al., “Pharmacological properties of leonurine: Targeting cardiovascular diseases,” Frontiers in Pharmacology, vol. 12, Art. no. 811880, 2022, doi: 10.3389/fphar.2021.811880.

[21] National Center for Biotechnology Information, “PubChem Compound Summary for CID 137199997, Charine,” PubChem, National Library of Medicine, Bethesda, MD, USA, accessed Aug. 2, 2026.

[22] L. Tesoriere, C. Gentile, F. Angileri, A. Attanzio, M. Tutone, M. Allegra, et al., “Trans-epithelial transport and antioxidant activity of indicaxanthin in intestinal Caco-2 cell monolayers,” Food & Function, vol. 10, no. 7, pp. 4036–4046, 2019, doi: 10.1039/C9FO00459F.

[23] E. Petrussa, E. Braidot, M. Zancani, C. Peresson, A. Bertolini, S. Patui, et al., “Plant flavonoids—Biosynthesis, transport and involvement in stress responses,” International Journal of Molecular Sciences, vol. 14, no. 7, pp. 14950–14973, 2013, doi: 10.3390/ijms140714950.

[24] K. C. Hsu et al., “iGEMDOCK: A graphical environment of enhancing GEMDOCK using pharmacological interactions and post-screening analysis,” BMC Bioinformatics, vol. 12, suppl. 1, Art. no. S33, Feb. 2011, doi: 10.1186/1471-2105-12-S1-S33.

[25] G. Bitencourt-Ferreira et al., “Molecular docking simulations with ArgusLab,” in Docking Screens for Drug Discovery, vol. 2053, W. F. de Azevedo, Jr., Ed. New York, NY, USA: Humana Press, 2019, pp. 203–220, doi: 10.1007/978-1-4939-9752-7_13.

[26] X. Y. Meng et al., “Molecular docking: A powerful approach for structure-based drug discovery,” Current Computer-Aided Drug Design, vol. 7, no. 2, pp. 146–157, 2011, doi: 10.2174/157340911795677602.

[27] E. W. Bell and Y. Zhang, “DockRMSD: An open-source tool for atom mapping and RMSD calculation of symmetric molecules through graph isomorphism,” Journal of Cheminformatics, vol. 11, no. 1, Art. no. 40, Jun. 2019, doi: 10.1186/s13321-019-0362-7.

[28] N. Kumar, N. Goel, and S. Singh, “Antifungal potential of clovamide isolated from Trifolium species,” Journal of Applied Microbiology, vol. 128, no. 3, pp. 803–812, 2020.

[29] A. Miron et al., “Antifungal activity of quercetin and its synergistic effect with antifungal drugs,” Medicinal Chemistry, vol. 7, no. 4, pp. 333–338, 2011.

[30] A. Kumar and K. Y. J. Zhang, “Targeting cytochrome P450 CYP53 enzymes in pathogenic fungi: Discovery of new antifungal agents,” MedChemComm, vol. 6, no. 5, pp. 791–799, 2015, doi: 10.1039/C5MD00018A.