Chemical profiling and mechanistic insights into the antibacterial efficacy of Melaleuca cajuputi leaf extract DOI Creative Commons
M. Isah, Mohd Dasuki Sul’ain, Wan‐Nor‐Amilah Wan Abdul Wahab

и другие.

BMC Complementary Medicine and Therapies, Год журнала: 2025, Номер 25(1)

Опубликована: Март 29, 2025

The emergence of antimicrobial resistance and the prevalence bacterial infections have prompted search for novel antimicrobials with diverse therapeutic potential from natural products. Thus, this study investigated antibacterial efficacy leaf extracts M. cajuputi. Additionally, chemical composition mechanism action most active extract (MAE) were evaluated. activity cajuputi was assessed using broth microdilution assay. Scanning electron microscopy (SEM) used to investigate effects MAE on morphology cells. Meanwhile, analyzed Fourier transform infrared (FTIR) spectroscopy gas chromatography-mass spectrometry (GC-MS). AutoDock Vina molecular docking analysis unveil interactions between ligands sites target proteins. crude obtained through cold maceration. methanolic demonstrated significant activity, minimum inhibitory concentration (MIC) values spanning 0.25 mg/mL 2 mg/mL. After 12 h treatment 1 × MIC extract, bacteria showed discernible morphological alterations, including disrupted cell wall membrane integrity. Thirty compounds identified in subsequently subjected studies against Amongst compounds, methylanthracene, cycloisolongifolene, diphenyl imidazole, benzil monohydrazone, trimethoxybenzoic acid pronounced binding affinities towards Klebsiella pneumoniae protein (PDB ID: 5O79), peptide 7RJJ), Streptococcus agalactiae surface anchor 2XTL), pilin 3PHS), Staphylococcus aureus transglycosylase 3VMQ), penicillin-binding proteins 3VSK). energy scores these varied − 6.0 kcal/mol 7.5 kcal/mol. Molecular dynamics simulations validated stability interactions, reinforcing vitro findings disruption​. indicated that leaves displayed potent pneumoniae, S. agalactiae, aureus. reveals proteins, highlighting as a source anti-infectives targeting infections.

Язык: Английский

Exploring of Chemical Profile and Biological Activities of Three Ocimum Species From Comoros Islands: A Combination of In Vitro and In Silico Insights DOI
Mehmet Veysi Çetiz, M. Isah, Güneş Ak

и другие.

Cell Biochemistry and Function, Год журнала: 2024, Номер 42(7)

Опубликована: Окт. 1, 2024

ABSTRACT Ocimum species have a great interest in different traditional medicinal systems. This study examined the chemical composition, antioxidant properties, enzyme inhibitory effects, and antibacterial antifungal activities of aerial parts gratissimum , americanum basilicum from Comoros Islands. The extracts were analyzed using high‐performance liquid chromatography‐mass spectrometry (HPLC‐MS) to determine their composition. Antioxidant activity was assessed 2,2‐Diphenyl‐1‐picrylhydrazyl (DPPH), 2,2′‐Azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid) diammonium salt (ABTS), cupric reducing capacity (CUPRAC), ferric power (FRAP), chelating ability, phosphomolybdenum radical scavenging assays. Enzyme against acetylcholinesterase (AChE), butrylcholinesterase (BChE), tyrosinase, amylase, glucosidase evaluated spectrophotometric methods. Antibacterial tested broth microdilution method selected pathogenic microorganisms. enzymes proteins silico methods with biomolecules these plants. In addition, 111 metabolites identified advanced HPLC/MS techniques. most significant number detected compounds derivatives hydroxycinnamic acids, followed by flavonoid glycosides aglycones hydroxybenzoic acids. All three exhibited activities, O. best‐reducing abilities CUPRAC FRAP assays revealed that had potent effect on tyrosinase (48.01 ± 3.89 mg kojic acid equivalent [KAE]/g), amylase (1.08 0.02 mmol acarbose [ACAE]/g). tests demonstrated possess broad‐spectrum activity. Molecular docking results showed remarkable binding energies target proteins. molecular dynamics simulations chicoric MurE Staphylococcus aureus complex as promising drug candidate. These findings support medical nutraceutical uses suggest possibilities for natural functional applications.

Язык: Английский

Процитировано

10
Chemical profiling and mechanistic insights into the antibacterial efficacy of Melaleuca cajuputi leaf extract DOI Creative Commons
M. Isah, Mohd Dasuki Sul’ain, Wan‐Nor‐Amilah Wan Abdul Wahab

и другие.

BMC Complementary Medicine and Therapies, Год журнала: 2025, Номер 25(1)

Опубликована: Март 29, 2025

The emergence of antimicrobial resistance and the prevalence bacterial infections have prompted search for novel antimicrobials with diverse therapeutic potential from natural products. Thus, this study investigated antibacterial efficacy leaf extracts M. cajuputi. Additionally, chemical composition mechanism action most active extract (MAE) were evaluated. activity cajuputi was assessed using broth microdilution assay. Scanning electron microscopy (SEM) used to investigate effects MAE on morphology cells. Meanwhile, analyzed Fourier transform infrared (FTIR) spectroscopy gas chromatography-mass spectrometry (GC-MS). AutoDock Vina molecular docking analysis unveil interactions between ligands sites target proteins. crude obtained through cold maceration. methanolic demonstrated significant activity, minimum inhibitory concentration (MIC) values spanning 0.25 mg/mL 2 mg/mL. After 12 h treatment 1 × MIC extract, bacteria showed discernible morphological alterations, including disrupted cell wall membrane integrity. Thirty compounds identified in subsequently subjected studies against Amongst compounds, methylanthracene, cycloisolongifolene, diphenyl imidazole, benzil monohydrazone, trimethoxybenzoic acid pronounced binding affinities towards Klebsiella pneumoniae protein (PDB ID: 5O79), peptide 7RJJ), Streptococcus agalactiae surface anchor 2XTL), pilin 3PHS), Staphylococcus aureus transglycosylase 3VMQ), penicillin-binding proteins 3VSK). energy scores these varied − 6.0 kcal/mol 7.5 kcal/mol. Molecular dynamics simulations validated stability interactions, reinforcing vitro findings disruption​. indicated that leaves displayed potent pneumoniae, S. agalactiae, aureus. reveals proteins, highlighting as a source anti-infectives targeting infections.

Язык: Английский

Процитировано

0