Platyphylloside, a potential inhibitor from epicarp of B. aegyptiaca against CYP450 protein in T. rubrum – In vitro and in silico approaches

Abuthakir, Mohamed Hussain Syed; Al-Dosary, Munirah Abdullah; Hatamleh, Ashraf Atef; Alodaini, Hissah Abdulrahman; Palanisamy, Chella Perumal; Jeyam, Muthusamy

doi:10.1016/j.sjbs.2022.03.017

Cited by 5 publications

(2 citation statements)

References 38 publications

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“…The carbohydrates have significant antifungal and antibacterial activity; especially, they were good inhibitory activity against the protein Lanosterol 14alpha-demethylase [37]. Platyphylloside is a class of diarylheptanoids; it exhibits effective antifungal activity against Fusarium equiseti, F. tricinctum, Candida albicans, and Saccharomyces cerevisiae [38] and effective antifungal inhibitor against T. rubrum [27].…”

Section: Discussionmentioning

confidence: 99%

“…Phytochemical analysis (Supplementary Table S1) and LC-MS analysis of fractioned chloroform extract of fruit epicarp (Supplementary Figure S1), then those mass values were compared with GNPS database and compounds (Supplementary Table S2) were retrieved further ADMETox results (Supplementary Table S3) were reported in my previous article [27].…”

Section: Phytochemical Lc-ms and Admetox Analysismentioning

confidence: 99%

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Evaluation of Compounds from Balanites aegyptiaca against Squalene Epoxidase of Micropsorum gypseum—In Vitro and In Silico Studies

Abuthakir,

Hemamalini,

Alahmadi

et al. 2023

Microbiology Research

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Microsporum gypseum is a dermatophyte with a geophilic nature that is found all over the globe. It mainly causes tinea in the scalp, arms, and legs in humans. Squalene epoxidase (SE) is a crucial enzyme in M. gypseum for the biosynthesis of ergosterol. The medicinal plant Balanites aegyptiaca is an abundant supply of secondary constituents with great therapeutic values. In this research, the fruit epicarp portion was used to inhibit M. gypseum using experimental and computational techniques. The anti-dermatophytic activity of epicarp extracts on M. gypseum was evaluated using the poison plate method at five different concentrations. At 3 mg/mL, the M. gypseum was completely controlled by the fractioned chloroform extract of epicarp. The compounds from previous research were utilized for docking studies (Abuthakir et al., 2022). The ideal compounds and the drug terbinafine were then docked using Schrödinger’s Glide module. It demonstrates that (3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl-6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside outperforms other substances and the drug terbinafine in docking analysis. Desmond, Schrödinger Molecular Dynamics simulations were also performed for (3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl-6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside-squalene epoxidase complexes. The complex appears to be more stable, according to the MD simulation research. This study indicates that (3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl-6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside could be used as a potential inhibitor of M. gypseum growth, and it could be studied further.

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Section: Discussionmentioning

confidence: 99%

Section: Phytochemical Lc-ms and Admetox Analysismentioning

confidence: 99%

Evaluation of Compounds from Balanites aegyptiaca against Squalene Epoxidase of Micropsorum gypseum—In Vitro and In Silico Studies

Abuthakir,

Hemamalini,

Alahmadi

et al. 2023

Microbiology Research

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Understanding Cytochrome P450 Enzyme Substrate Inhibition and Prospects for Elimination Strategies

Zhang,

Wang

et al. 2024

ChemBioChem

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Cytochrome P450 (CYP450) enzymes, which are widely distributed and pivotal in various biochemical reactions, catalyze diverse processes such as hydroxylation, epoxidation, dehydrogenation, dealkylation, nitrification, and bond formation. These enzymes have been applied in drug metabolism, antibiotic production, bioremediation, and fine chemical synthesis. Recent research revealed that CYP450 catalytic kinetics deviated from the classic Michaelis–Menten model. A notable substrate inhibition phenomenon that affects the catalytic efficiency of CYP450 at high substrate concentrations was identified. However, the substrate inhibition of various reactions catalyzed by CYP450 enzymes have not been comprehensively reviewed. This review describes CYP450 substrate inhibition examples and atypical Michaelis–Menten kinetic models, and provides insight into mechanisms of these enzymes. We also reviewed 3D structure and dynamics of CYP450 with substrate binding. Outline methods for alleviating substrate inhibition in CYP450 and other enzymes, including traditional fermentation approaches and protein engineering modifications. The comprehensive analysis presented in this study lays the foundation for enhancing the catalytic efficiency of CYP450 by deregulating substrate inhibition.

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Experimental and computational insights of Albizia amara phytoconstituents targeting anthranilate phosphoribosyltransferase from Malassezia globosa

Subhashini,

Jebastin,

Khasamwala

et al. 2024

Acta Tropica

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Platyphylloside, a potential inhibitor from epicarp of B. aegyptiaca against CYP450 protein in T. rubrum – In vitro and in silico approaches

Cited by 5 publications

References 38 publications

Evaluation of Compounds from Balanites aegyptiaca against Squalene Epoxidase of Micropsorum gypseum—In Vitro and In Silico Studies

Evaluation of Compounds from Balanites aegyptiaca against Squalene Epoxidase of Micropsorum gypseum—In Vitro and In Silico Studies

Understanding Cytochrome P450 Enzyme Substrate Inhibition and Prospects for Elimination Strategies

Experimental and computational insights of Albizia amara phytoconstituents targeting anthranilate phosphoribosyltransferase from Malassezia globosa

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