New discoveries in chemical research and development in 2021. The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. In an article, author is Bahia, Malkeet Singh, once mentioned the application of 94569-84-3, Name is 2-Bromo-5-fluorobenzaldehyde, molecular formula is C7H4BrFO, molecular weight is 203.01, MDL number is MFCD00142872, category is thiomorpholine. Now introduce a scientific discovery about this category, Application of 94569-84-3.
Thiomorpholine analogs (TML) have been identified as novel class of potent tumor necrosis factor-alpha converting enzyme (TACE) inhibitors. A computational strategy based on molecular docking studies, followed by MFA analysis has been performed to elucidate the atomic details of the TACE/TML interactions and to identify the most important features impacting TACE inhibitory activity of TMLs. The generated MFA model resulted to be well predictive, and gave r(test)(2) 0.723, conventional r(2) 0.982 and r(cv)(2) 0.811. The 3D-QSAR field contributions and the structural features of the TACE binding site showed a good correlation. These studies will be useful to design new TACE inhibitors with improved potency.
Application of 94569-84-3, This is the end of this tutorial post, and I hope it has helped your research about 94569-84-3.
Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem