Computational study of molecular electrostatic potential, drug likeness screening and structure-activity/property relationships of thiazolidine-2,4-dione derivatives was written by Medjahed, Sihem;Belaidi, Salah;Djekhaba, Salim;Tchouar, Noureddine;Kerassa, Aicha. And the article was included in Journal of Bionanoscience in 2016.Recommanded Product: 16312-21-3 This article mentions the following:
Mol. geometry, electronic properties, effect of the substitution, and structure phys.-chem. relationship for thiazolidine-2,4-dione derivatives have been studied by d. functional theory (DFT) theory. In the present work, the calculated values, namely, net charges, mol. electrostatic potential (MESP) contours/surfaces have also been drawn to explain the electronic activity of thiazolidine-2,4-dione, bond lengths, dipole moments, heats of formation, Quant. structure- activity relationship (OSAR) properties, Lipinski’s and Veber’s parameters, Ligand efficiency (LE), Lipophilic Efficiency (LipE), etc., are reported and discussed in this paper. In the experiment, the researchers used many compounds, for example, 3-Methylthiazolidine-2,4-dione (cas: 16312-21-3Recommanded Product: 16312-21-3).
3-Methylthiazolidine-2,4-dione (cas: 16312-21-3) belongs to thiazolidine derivatives. In the thiazolidine nucleus, a large number of substitutions are possible on 2, 4 and 5 positions responsible for enhancing the compound’s pharmaceutical importance. Thiazolidines are also used in peptide and protein modification, protein chemical synthesis, as activators to innate immunity and also act as immunostimulating agents.Recommanded Product: 16312-21-3
Referemce:
Thiazolidine – Wikipedia,
Thiazolidine – ScienceDirect.com