Medicinal Chemistry - Project Leader; Technology Innovation & External Platforms presso Alfasigma - parla di #scienze #farmaci #farmaceutico #ricerca #innovazione #sociale
CADD (Computer-aided drug design) A POWERFUL TOOL FOR THE DEVELOPMENT OF KINASE INHIBITORS In biochemistry, a kinase is an enzyme that catalyzes the transfer of phosphate groups from high-energy, phosphate-donating molecules to specific substrates. This process is known as phosphorylation, where the high-energy ATP molecule donates a phosphate group to the substrate molecule. As a result, kinase produces a phosphorylated substrate and ADP. These enzymes are involved in the regulation of various cellular processes such as growth, division, and metabolism. For this reason, kinases are a highly sought-after drug target in the pharmaceutical field. Kinase inhibitors are used to treat cancer and other diseases where abnormal kinase activity plays a key role. Designing inhibitors that are specific to one kinase requires considerable effort by medicinal chemists. CADD (Computer-aided drug design) has become a powerful tool in the development of kinase inhibitors. Not only CADD but also techniques such as molecular docking, pharmacophore modeling and virtual screening are part of the common effort in designing new kinase inhibitors. Thanks to these techniques, only in the last period - 2021-2023 - numerous kinase inhibitors have been developed and have reached FDA approval. Below are some kinase inhibitors discovered or developed with the help of CADD, and approved by FDA. #kinase #kinaseinhibitor #CADD
#FDA-approved kinase #inhibitors #discovered using the computer-aided #drug design strategy (2021–2023). #drugdesign #drugdiscovery #compchem #computationalchemistry #protacs Computer-aided drug design (CADD) has become a powerful tool in the development of kinase inhibitors, which are a class of drugs that target kinases, enzymes involved in the regulation of various cellular processes such as growth, division, and metabolism. Many of these inhibitors are used to treat cancer and other diseases where abnormal kinase activity plays a key role. Over the past few years, from 2021 to 2023, CADD has significantly contributed to the discovery and development of FDA-approved kinase inhibitors. These inhibitors are often identified through a combination of techniques like molecular docking, pharmacophore modeling, and virtual screening, which help in designing and optimizing compounds that can effectively interact with kinase targets. Here are some FDA-approved kinase inhibitors discovered or developed with the help of CADD during the period 2021–2023:
Great post! A small correction on ribociclib chemical structure is needed (structure is missing cyclopentane ring).
Thanks for bringing this to out attention Prof. My lab currently studies a selected SMTKs for the glycaemic modulatory activities.
It is incredible to see such a brilliant visualisation of the effectiveness of CADD.
...a good question is, how effective is going after APT binding kinase inhibitors versus new approaches like the allosteric modulation. Looking at these drugs, with only one exception, they are all hinge-based. Which means it pays back