Targeting D-Ribose-Binding Proteins in Brucella melitensis: A Novel Frontier Against Antibiotic Resistance

Antibiotic resistance among pathogens common to human beings and animals, which include Brucella melitensis , has end up a significant worldwide health task. Traditional antibiotic treatments for brucellosis, along with lengthy-time period regimens of doxycycline and rifampicin, are going through increasing boundaries because of rising resistance, affected person adherence issues, and considerable side results. This observe investigates the capacity of targeting the periplasmic D-ribose-binding protein (DBP), a key component of the bacterial ATP-binding cassette (ABC) delivery system, as a unique healing technique. Protein structural modeling was carried out the use of superior computational tools together with AlphaFold, Swiss-Model, and Phyre2, followed by validation via Ramachandran plots and energy minimization techniques. Molecular docking analyses recognized D-Talopyranose as a promising ligand with a high binding affinity of -5.8 kcal/mol. Subsequent ADMET profiling found out favorable pharmacokinetic and toxicological results, assisting its potential as a drug candidate. Molecular dynamics simulations similarly evaluated the stability and dynamics of the protein-ligand interplay complex, confirming its suitability for therapeutic programs. Our outcomes reveal that targeting DBP could offer a unique mechanism to combat antibiotic-resistant lines of Brucella melitensis by using disrupting essential metabolic pathways. This study affords a promising street for revolutionary brucellosis treatments by way of addressing the challenges posed by means of antibiotic resistance and paves the manner for experimental validation and optimization of the identified ligands. Such focused strategies may also notably improve ailment control and reduce the worldwide burden of brucellosis, mainly in areas where traditional antibiotics are losing their efficacy.