Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 103-30-0, Name is (E)-1,2-Diphenylethene, molecular formula is C14H12. In an article, author is Bahia, Malkeet Singh,once mentioned of 103-30-0, Safety of (E)-1,2-Diphenylethene.
Three Dimensional Molecular Field Analysis of Thiomorpholine Analogs of TACE Inhibitors Using Receptor Based Alignment
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.
If you are hungry for even more, make sure to check my other article about 103-30-0, Safety of (E)-1,2-Diphenylethene.
Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem