Medicinal Chemistry

Due to their ability to modify signalling pathways by binding to phospho-writers, erasers, and readers like proteins with SH2 and PTB domains, phosphotyrosine-containing compounds are the focus of considerable research. In order to research protein phosphorylation and dephosphorylation, phosphotyrosine derivatives are helpful chemical tools. As a result, they are appealing starting points for the creation of binding ligands, chemical probes to study biology, and inhibitor and degrader drug design. Physiologically stable phosphonate-based phosphotyrosine analogues are useful in a wide range of applications to overcome the enzymatic lability of the phosphate group.

Chemical biology and drug development are both hot on the subject of target deconvolution of phenotypic tests. Finding targets for chemicals that generate intriguing phenotypic readouts is the ultimate objective. To help with this process, numerous experimental and computational techniques have been developed. According to a commonly used computational method, potential targets for new active molecules are inferred based on how chemically similar those molecules are to substances that have activity against established targets. Using chemical cancer cell line screens as a model system for phenotypic tests, we offer a molecular scaffold-based alternative for similarity-based target deconvolution in this article. Analog series-based (ASB) scaffold, a new form of scaffold, was employed for substructure-based similarity assessment. Target assignment centred on ASB was compared to conventional scaffolds and compound-based similarity analyses.

Oxidative stress, a result of the overproduction and buildup of free radicals, is the main cause of a number of degenerative diseases, including atherosclerosis, cancer, ageing, cardiovascular, and inflammatory disorders. Polyphenols, which are naturally occurring antioxidants, have a wide range of biological effects, including antibacterial, anticancer, antiviral, antifungal, anticholesterol lowering, and ulcer healing.