Drug Reprofiling: In Silico Modelling of Haemophilus Influenzae Disease, Staphylococcus aureus Related Pneumonia and Urinary Tract Infections

According to reports of ReAct forum, every year more than 750,000 patients die due to bacterial infections, making bacterial infectionone of the leading causes of disease infestation in an individual. Haemophilus influenzae disease, pneumonia and urinary tractinfections make the top of this list. Haemophilus influenzae is a gram-negative, commensal, facultative bacterium, which can mostlycause pneumonia along with other diseases including bloodstream infections and arthritis. Though vaccine exists for Hib infections,during infections of Hib and NThi the patients are administered antibiotics to treat the disease. Staphylococcus aureus is a grampositive versatile bacterium of the micrococcaceae family and one of the most dangerous pathogen-affecting humans as it can causepneumonia. Pneumonia is an acute pulmonary infection, which is associated with high mortality having a more pronounced effect onyoung children. Urinary Tract Infection is a prevalent public health problem that is more common in women than in men. Though itcan be treated by appropriate antibiotics, due to recurrent infections, they lead to a gain of resistance. Thousands of research aregoing on around the world to come up with a potential drug that can cure the Hi disease, Staphylococcus aureus related pneumoniaand UTIs entirely with the least drawbacks. In this study, we present a docking-based screening using a quantum mechanical scoringof a library built from approved drugs and compounds, Amoxicillin and Cefuroxime with proteins with PDB ids 3CKM, 3EMF, 3ZU0,4MV9, 5KCN, 5VBG, and 6XXY for Hi disease, 4RBR, 4MVN, 3KOR and 2RKZ for Staphylococcus aureus related pneumonia and 6QVX,2F00, 6AYI and 2ID0 for UTIs could display antibacterial activity against the respective bacterial infections. This study needs to beevaluated and further confirmed through experimental assays and clinical trials to validate the predicted results. This finding aims toprovide a better understanding and contribute