[HTML][HTML] Computational modeling of 4-Phenoxynicotinamide and 4-Phenoxypyrimidine-5-carboxamide derivatives as potent anti-diabetic agent against TGR5 receptor

SE Adeniji, DE Arthur, A Oluwaseye - Journal of King Saud University …, 2020 - Elsevier
Computational study was carried out to develop a Quantitative structure-activity relationship
(QSAR) model and molecular docking studies on 4-Phenoxynicotinamide and 4 …

Solvent-free and self-catalyzed three-component synthesis of diversely substituted pyrazolo [1, 4] thiazepinones of potential antitumor activity

R Abonia - Current Organic Synthesis, 2014 - ingentaconnect.com
In this work we report the highly efficient solvent-free and self-catalyzed three-component
approach for the synthesis of pyrazolo [3, 4-e][1, 4] thiazepin-7 (4H)-ones. The reaction …

On the use of electronegativity and electron affinity based pseudo‐molecular field descriptors in developing correlations for quantitative structure‐activity relationship …

PD Kunde, S Ramkumar, SP Kamble… - Chemical Biology & …, 2021 - Wiley Online Library
For quantitative structure‐activity relationship (QSAR) modeling in ligand‐based drug
discovery programs, pseudo‐molecular field (PMF) descriptors using intrinsic atomic …

[PDF][PDF] 1, 5-BENZOTHIAZEPINE: AS POTENTIAL BIOLOGICALLY ACTIVE AGENT

VK Chaudhri, D Pathak, Z Hussain - researchgate.net
ABSTRACT The 1, 5-benzothiazepine ring system is an important pharmacophore in
medicinal chemistry and modern drug discovery. 1, 5-benzothiazepine and its derivatives …

[引用][C] Studies in QSAR modeling for selection of potential inhibitors for drug discovery

PD Kunde - 2019 - CSIR-National Chemical Laboratory …