Potential antibacterial molecules against Acinetobacter baumannii: Molecular docking, bioinformatics, and antibacterial activity analyses: Potential antibacterial molecules against A. baumannii

Acinetobacter baumannii is a Gram-negative, multidrug-resistant nosocomial pathogen and an important cause of hospital-acquired infections. Acinetobacter baumannii is classified as a critical priority by the World Health Organization. Acinetobacter baumannii primarily affects immunocompromised patients in intensive care units, neonates, children, the elderly, and patients with diabetes in nursing homes and community hospital settings. Virulence factors are specific molecules produced and released by microorganisms, primarily bacteria. This study performed bioinformatic analysis of some virulence (csuA/B, csuC, bfmR, ompA, carO, rplB, and rplC) genes belonging to Acinetobacter baumannii bacteria. The molecular docking method was used to investigate the interactions between these virulence genes and oxalic acid, salicylic acid, cinnamic acid, and gentisic acid. Additionally, the agar well diffusion method was employed to examine the antibacterial activities of oxalic acid and gentisic acid against Acinetobacter baumannii ATCC BAA 747. The highest binding energy occurred between the CsuA/B protein encoded by the csuC gene and gentisic acid (-6.5 kcal/mol). In addition, gentisic acid was found to have the highest binding energy with most of the other virulence proteins. Oxalic acid and gentisic acid showed antibacterial activity against Acinetobacter baumannii.