Synthesis, in-vitro antitubercular, antifungal activities and in silico molecular docking study of Chalcone derivatives from 1-(2'-Hydroxyphenyl)-3-(substituted-phenyl)-2-propenone.
Mulula, A., Bouzina, A., Mambu, H., Mbiye, G., Zaki, A. (2023). Synthesis, in-vitro antitubercular, antifungal activities and in silico molecular docking study of Chalcone derivatives from 1-(2'-Hydroxyphenyl)-3-(substituted-phenyl)-2-propenone.. EKB Journal Management System, 4(3), 1041-1052. doi: 10.21608/mid.2023.191321.1458
Arnold Mulula; Abdeldjalil Bouzina; Hugues Bisi Mambu; Gracia Kayoko Mbiye; Ahmed Zaki. "Synthesis, in-vitro antitubercular, antifungal activities and in silico molecular docking study of Chalcone derivatives from 1-(2'-Hydroxyphenyl)-3-(substituted-phenyl)-2-propenone.". EKB Journal Management System, 4, 3, 2023, 1041-1052. doi: 10.21608/mid.2023.191321.1458
Mulula, A., Bouzina, A., Mambu, H., Mbiye, G., Zaki, A. (2023). 'Synthesis, in-vitro antitubercular, antifungal activities and in silico molecular docking study of Chalcone derivatives from 1-(2'-Hydroxyphenyl)-3-(substituted-phenyl)-2-propenone.', EKB Journal Management System, 4(3), pp. 1041-1052. doi: 10.21608/mid.2023.191321.1458
Mulula, A., Bouzina, A., Mambu, H., Mbiye, G., Zaki, A. Synthesis, in-vitro antitubercular, antifungal activities and in silico molecular docking study of Chalcone derivatives from 1-(2'-Hydroxyphenyl)-3-(substituted-phenyl)-2-propenone.. EKB Journal Management System, 2023; 4(3): 1041-1052. doi: 10.21608/mid.2023.191321.1458

Synthesis, in-vitro antitubercular, antifungal activities and in silico molecular docking study of Chalcone derivatives from 1-(2'-Hydroxyphenyl)-3-(substituted-phenyl)-2-propenone.

Microbes and Infectious Diseases
Article 37, Volume 4, Issue 3, August 2023, Page 1041-1052  XML PDF (1.14 MB)
Document Type: Original Article
DOI: 10.21608/mid.2023.191321.1458
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Authors
Arnold Mulula email orcid 1; Abdeldjalil Bouzina2; Hugues Bisi Mambu3; Gracia Kayoko Mbiye4; Ahmed Zaki5
1Department of Chemistry, Faculty of Sciences and technologies, Universite de Kinshasa (Democratic Republic of Congo)
2Department of Botany and Microbiology, Faculty of Sciences, Cairo University, Egypt.
3Cliniques Universitaires de Kinshasa, Universite de Kinshasa, Congo.
4Department of Arts, Ain shams University, Cairo, Egypt
5Department of Chemistry, Faculty of Sciences, Ainshams University, Egypt.
Abstract
Background:  Tuberculosis (TB) is one of the major global health problems and faced to the increased resistance of Mycobacterium tuberculosis strains against existing antitubercular agents, it is important to look for new antitubercular drugs. Aims: The goal of this work was to synthesize four chalcones derivatives from 1-(2'-hydroxyphenyl)-3-(substituted-phenyl)-2-propenone, then evaluate their antitubercular and antifungal activities by standard computational and biological methods. Methods: These chalcones were synthesized by the Claisen-Schmidt condensation and their structures have been determined by Nuclear Magnetic Resonance (NMR 1H and 13C) and Fourier Transform Infrared (FTIR) spectroscopy. The in vitroantimycobacterial and antifungal assays were carried out by the microdilution method against Mycobacterium tuberculosis H37Rv (ATCC 27294), H37Ra (ATCC 25177), and Candida albicans (MTCC 1637), respectively. The molecular docking of these chalcones was performed by AutoDock vina program using Mycobacterial tuberculosis Thymidylate Kinase (PDB ID: 1G3U) and dihydrofolate reductase (PDB ID 1AI9) as target ligand. Results: All synthesized chalcones showed good and moderated antitubercular activity against Mycobacterium tuberculosis H37Rv (virulent strains ATCC 27294), H37Ra (the attenuated strains ATCC 25177) with a range of MICs ranging from 4 to 64 µg/mL. Regarding antifungal activity, all synthesized chalcones were active against Candida albicans strains (MTCC 1637) with a range of MICs ranging from 16 to 128 µg/mL. Based on absorption, distribution, metabolism, and excretion (ADME) properties, all chalcones synthetized satisfied the Lipinski rule. Conclusion: The results suggest that the synthesized chalcones, especially the (E)-3-(4- (dimethylamino) phenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl) prop-2-en-1-one could be used, after in vivo and clinical tests, like antitubercular and antifungal supplement or even replace current drug therapies.
Keywords
Chalcones; antitubercular; antifungal; NMR; AutoDock vina
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