Version 1
: Received: 23 November 2023 / Approved: 23 November 2023 / Online: 24 November 2023 (02:54:50 CET)
How to cite:
Auerkari, E.I.; Arifaputri, N.R.; Auerkari, P. Molecular Docking of Compounds from Clitoria ternatea as Candidate Anti-fungal Agents against Candida albicans. Preprints2023, 2023111539. https://doi.org/10.20944/preprints202311.1539.v1
Auerkari, E.I.; Arifaputri, N.R.; Auerkari, P. Molecular Docking of Compounds from Clitoria ternatea as Candidate Anti-fungal Agents against Candida albicans. Preprints 2023, 2023111539. https://doi.org/10.20944/preprints202311.1539.v1
Auerkari, E.I.; Arifaputri, N.R.; Auerkari, P. Molecular Docking of Compounds from Clitoria ternatea as Candidate Anti-fungal Agents against Candida albicans. Preprints2023, 2023111539. https://doi.org/10.20944/preprints202311.1539.v1
APA Style
Auerkari, E.I., Arifaputri, N.R., & Auerkari, P. (2023). Molecular Docking of Compounds from <em>Clitoria ternatea </em>as Candidate Anti-fungal Agents against <em>Candida albicans</em>. Preprints. https://doi.org/10.20944/preprints202311.1539.v1
Chicago/Turabian Style
Auerkari, E.I., Naila Ramadhanty Arifaputri and Pertti Auerkari. 2023 "Molecular Docking of Compounds from <em>Clitoria ternatea </em>as Candidate Anti-fungal Agents against <em>Candida albicans</em>" Preprints. https://doi.org/10.20944/preprints202311.1539.v1
Abstract
Introduction: Oral candidiasis is an opportunistic fungal infection, often caused by Candida albicans. One of the virulence factors of C. albicans is sterol 14a-demethylase or CYP51. Compounds of anthocyanins (ternatin, cyanin) and flavonoids (rutin, isoquercetin, kaempferol, myricetin, limocitrin) from the extract of the Clitoria ternatea (butterfly pea) plant are believed to have potential to inhibit the CYP51 virulence factor of C. albicans to suppress oral candidiasis. The purpose of this research was to investigate the interaction between the ligands of anthocyanins and flavonoids from C. ternatea (butterfly pea) with CYP51. Methods: The in silico study applied molecular docking to examine the molecular interactions (binding affinity) between the anthocyanin and flavonoid ligands of interest from C. ternatea and the CYP51 receptor of C. albicans. Results: Predicted interactions exist between the ligands of anthocyanins (ternatin, cyanin) and flavonoids (rutin, isoquercetin, kaempferol, myricetin, limocitrin) from C. ternatea and the CYP51 receptor of C. albicans. Conclusion: C. ternatea has the potential to provide anti-fungal agents that can inhibit or slow down the occurrence of oral candidiasis, as indicated by in silico studies. However, it is important to conduct additional research regarding the properties of the plant to determine the unknown aspects of its effects to the human body.
Biology and Life Sciences, Biochemistry and Molecular Biology
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
