Electric Literature of 2682-49-7, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.2682-49-7, Name is Thiazolidin-2-one, molecular formula is C3H5NOS. In a Review£¬once mentioned of 2682-49-7
A comparative group-QSAR and molecular docking studies of 4 -thiazolidinone containing indolin-2-one moiety as VGEFR inhibitors
Vascular endothelial growth factor receptors (VEGFR) are kinase based receptors reported as a promising target in anti tumour therapy. VGEFR inhibitors are being investigated which can have important contribution in anti-angiogenic therapy for treatment of cancer. In the present study, an attempt has been made to develop a site-specific QSAR model in order to explore the definite sites of substitution of a series of 4-thiazolidinone derivatives having reported antitumor activity against h460 cell lines. Each molecule of the series was divided into seven fragments for varying substituent at the positions R1, R2, R3, R4, R5, R6 and R7 of the parent nucleus. GQSAR was performed using MLR, PCR, PLS and KNN methods of variable selection. Amongst these methods, PCR has come out with promising result as compared to other methods. A comparative docking study was performed to explore the particular sites of interactions within the binding cavity of VGEFR protein. (PDB id: 1Y6A). The important substitutions contributing towards the biological activity by interpreting the developed GQSAR equation using virtual studies were found out which are as follows. position R1 should be substituted with groups with low electro negativity and higher atomic mass, oxygen count at R5 should be increased which would act as hydrogen bond acceptors and total polar surface area at R7 has to be decreased by making substitutions of non polar groups to promote hydrophobic interactions.
We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, the role of 2682-49-7, and how the biochemistry of the body works.Electric Literature of 2682-49-7
Reference£º
Quinuclidine – Wikipedia,
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