Discovery of Catechin from Acacia arabica as a Potential Inhibitor of New Delhi Metallo-β-lactamase-1 (NDM-1): Insights from In Silico Docking and Antibacterial Assays

Abstract

The global rise in antimicrobial resistance, particularly due to the proliferation of metallo-β-lactamase enzymes such as New Delhi metallo-β-lactamase-1 (NDM-1), presents a significant challenge in clinical therapeutics. This study explores the inhibitory potential of catechin derived from Acacia arabica against NDM-1 using integrated in silico and in vitro approaches. In silico docking studies were conducted using AutoDock Vina, wherein catechin demonstrated significant binding affinity with key active site residues and metal (Zn) cofactor of the NDM-1 protein. Pharmacokinetic and toxicity profiles of phytoconstituents were assessed using SwissADME and pkCSM tools to evaluate drug-likeness and safety. Among several screened compounds, catechin exhibited favorable ADMET properties and strong docking scores. The antibacterial activity of A. arabica extracts was evaluated against NDM-1-producing Escherichia coli strains using modified disk diffusion assays. Acetone extracts displayed the highest inhibitory zones, which further increased when administered alongside amoxicillin, indicating a potentiated effect. This study highlights the promising role of plant-derived catechins as lead compounds for the development of NDM-1 inhibitors and underscores the therapeutic potential of A. arabica in counteracting antimicrobial resistance. The findings support further investigation and structural optimization of catechin-based inhibitors targeting NDM-1.