Frontiers in pharmacology · 2026
Catechins as antibiofilm agents: molecular insights for virtual screening and in vitro biological evaluation.
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Amin Adnan, Khan Ahmad, Ali Haider, Zaman Wajid, Chaman Sadia, Zaman Ali, Majeed Muhammad Kashif, Ullah Niamat, Aziz Muhammad Imran
Аннотация
INTRODUCTION: Bacterial Biofilms are of great concern because they are the main drivers of antimicrobial resistance. We investigated the potential of catechins against bacterial biofilms using advanced computational and in vitro models.
METHODS: The HPLC profiling of Camellia sinensis extract confirmed the presence of catechins. The ADMET and drug-likeness studies were specified to comply with the optimal values.
RESULTS: Molecular docking on 2UV0 indicated a moderate interaction with targets, which was further confirmed by DFT analysis (Homo-Lumo). Root mean square fluctuations and normal mode analysis (NMA) further supported the chemical reactivity and possible protein-ligand stabilization profile of epicatechin gallate. Antimicrobial assay showed the highest inhibition by epigallocatechin against Pseudomonas aeruginosa (minimum inhibitory concentration 15.6 μg/mL), followed by Klebsiella pneumoniae (MIC 31.2 μg/ mL), Escherichia coli and Staphylococcus aureus (MIC 62.5 μg/mL). During in vitro assays, epicatechin gallate showed significant inhibition of bacterial growth (for up to 20 h) and biofilm formation (61.5% ± 2.3%), while the other compounds showed slight or negligible inhibition. The ability of catechins to reduce oxidative stress and its main components in C. sinensis was observed.
CONCLUSION: It was thus concluded that catechin possesses significant antibacterial and antibiofilm potential that be phenotypic response.
METHODS: The HPLC profiling of Camellia sinensis extract confirmed the presence of catechins. The ADMET and drug-likeness studies were specified to comply with the optimal values.
RESULTS: Molecular docking on 2UV0 indicated a moderate interaction with targets, which was further confirmed by DFT analysis (Homo-Lumo). Root mean square fluctuations and normal mode analysis (NMA) further supported the chemical reactivity and possible protein-ligand stabilization profile of epicatechin gallate. Antimicrobial assay showed the highest inhibition by epigallocatechin against Pseudomonas aeruginosa (minimum inhibitory concentration 15.6 μg/mL), followed by Klebsiella pneumoniae (MIC 31.2 μg/ mL), Escherichia coli and Staphylococcus aureus (MIC 62.5 μg/mL). During in vitro assays, epicatechin gallate showed significant inhibition of bacterial growth (for up to 20 h) and biofilm formation (61.5% ± 2.3%), while the other compounds showed slight or negligible inhibition. The ability of catechins to reduce oxidative stress and its main components in C. sinensis was observed.
CONCLUSION: It was thus concluded that catechin possesses significant antibacterial and antibiofilm potential that be phenotypic response.