Antimicrobial Potential of <i>Pithecellobium dulce</i> Seed Extract against Pathogenic Bacteria: In Silico and In Vitro Evaluation

Abstract

Clinical multi-drug-resistant bacteria continue to be a serious health problem. Plant-derived molecules are an important source of bioactive compounds to counteract these pathogenic bacteria. In this paper, we studied the chemical composition of the methanol (80%) extract from <i>Pithecellobium dulce</i> seed (Hail, Saudi Arabia) and its ability to inhibit the growth of clinically relevant multi-drug-resistant bacteria. Molecular docking analysis was performed to predict the best compounds with low binding energy and high affinity to interact with two <i>Staphylococcus aureus</i> receptors. Data showed that <i>P. dulce</i> extract is a rich source of D-turanose (55.82%), hexadecanoic acid (11.56%), indole-1-acetic acid (11.42%), inositol (5.78%), and octadecanoic acid (4.36%). The obtained extract showed antibacterial activity towards tested clinical bacterial strains with MIC values ranging from 233 mg/mL for <i>Acinetobacter baumannii</i> to 300 mg/mL for <i>S. aureus</i> and <i>Escherichia coli</i>. Turanose interaction has resulted in -7.4 and -6.6 kcal/mol for 1JIJ and 2XCT macromolecules, while inositol showed energy values (-7.2 and -5.4 kcal/mol) for the same receptors. Multiple identified compounds showed desirable bioavailability properties indicating its great potential therapeutic use in human. Overall, current investigation highlights the possible use of <i>P. dulce</i> extract as a valuable source for drug development against pathogenic drug-resistant bacteria.