Insight into TLR4 receptor inhibitory activity via QSAR for the treatment of Mycoplasma pneumonia disease.

ABSTRACT: Mycoplasma pneumoniae (MP) is one of the most common pathogenic organisms causing upper and lower respiratory tract infections, lung injury, and even death in young children. Toll-like receptors (TLRs) play an important role in innate immunity by allowing the host to recognize pathogens invading the body. Previous studies demonstrated that TLR4 is a potential therapeutic target for the treatment of MP pneumonia. Therefore, the present study aimed to screen biologically active ingredients that target the TLR4 receptor pathway. We first used molecular docking to screen out the active compounds inhibiting the TLR4 pathway, and then used regression and classification machine learning algorithms to establish a quantitative structure-activity relationship (QSAR) model to predict the biolo

SUBMITTER: Zhu Z 

PROVIDER: S-EPMC9833105 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature