The escalating incidence of bacterial infections and the consequential antibiotic resistance pose a critical health and scientific challenge, necessitating finding new drug targets in the pathogenic bacteria. Choline-mediated decoration of bacteria cell wall is a crucial modulator for survival, virulence, and antibiotic resistance in pathogenic bacteria such as s. pneumoniae. The determination of the crystal structure of LicB, a transporter involved in this choline import pathway, and subsequent in vitro studies have confirmed LicB as a promising potential drug target. In this project, we aim to investigate the therapeutic potential of LicB to develop novel antibiotics. Our primary objectives include identifying the molecular mechanisms underlying the LicB choline import process using the state-of-art biomolecular simulations and enhanced sampling techniques. Based on the molecular data obtained from modeling and simulations, coupled with the experimental data, we will perform a series of structure-based virtual screening studies to identify novel small-molecule inhibitors of LicB. The outcome of this study will serve as a steppingstone in developing potential antibiotics against resistant strains of pathogenic bacteria.