Design, synthesis and in vitro evaluation of some small molecules malonyl CoA decarboxylase inhibitors containing pyrazoline scaffold and study of their binding interactions with malonyl CoA decarboxylase via preliminary docking simulation

2017 ◽  
Vol 26 (9) ◽  
pp. 2127-2140 ◽  
Author(s):  
Deepali M. Jagdale ◽  
C. S. Ramaa
Keyword(s):  
Small Molecules ◽  
Docking Simulation ◽  
Binding Interactions ◽  
Design Synthesis ◽  
In Vitro Evaluation ◽  
Decarboxylase Inhibitors ◽  
Malonyl Coa

scholarly journals Design, synthesis, in silico studies and in vitro evaluation of isatin-pyridine oximes hybrids as novel acetylcholinesterase reactivators

2021 ◽  
Vol 36 (1) ◽  
pp. 1370-1377
Author(s):  
Daniel A. S. Kitagawa ◽  
Rafael B. Rodrigues ◽  
Thiago N. Silva ◽  
Wellington V. dos Santos ◽  
Vinicius C. V. da Rocha ◽  
...  
Keyword(s):  
In Silico ◽  
Design Synthesis ◽  
In Vitro Evaluation ◽  
In Silico Studies ◽  
Acetylcholinesterase Reactivators

Design, Synthesis, and In Vitro Evaluation of Tubulin‐targeting Dibenzothiazines with Antiproliferative Activity as Novel Heterocycle Building Block

ChemMedChem ◽  
2021 ◽  
Author(s):  
Walter Damián Guerra ◽  
Daniel Lucena-Agell ◽  
Rafael Hortigüela ◽  
Roberto Arturo Rossi ◽  
J. Fernando Díaz ◽  
...  
Keyword(s):  
Antiproliferative Activity ◽  
Building Block ◽  
Design Synthesis ◽  
In Vitro Evaluation

scholarly journals Structure-Based Design, Synthesis, and in vitro Evaluation of Bisubstrate Inhibitors for CatecholO-Methyltransferase (COMT)

2000 ◽  
Vol 6 (6) ◽  
pp. 971-982 ◽  
Author(s):  
Birgit Masjost ◽  
Patrick Ballmer ◽  
Edilio Borroni ◽  
Gerhard Zürcher ◽  
Fritz K. Winkler ◽  
...  
Keyword(s):  
Design Synthesis ◽  
In Vitro Evaluation ◽  
Bisubstrate Inhibitors

Design, synthesis and in vitro evaluation on HRPE cells of ascorbic and 6-bromoascorbic acid conjugates with neuroactive molecules

2004 ◽  
Vol 12 (20) ◽  
pp. 5453-5463 ◽  
Author(s):  
Stefano Manfredini ◽  
Silvia Vertuani ◽  
Barbara Pavan ◽  
Federica Vitali ◽  
Martina Scaglianti ◽  
...  
Keyword(s):  
Design Synthesis ◽  
In Vitro Evaluation

Targeting epigenetic reader and eraser: Rational design, synthesis and in vitro evaluation of dimethylisoxazoles derivatives as BRD4/HDAC dual inhibitors

2016 ◽  
Vol 26 (12) ◽  
pp. 2931-2935 ◽  
Author(s):  
Zhimin Zhang ◽  
Shaohua Hou ◽  
Hongli Chen ◽  
Ting Ran ◽  
Fei Jiang ◽  
...  
Keyword(s):  
Rational Design ◽  
Design Synthesis ◽  
In Vitro Evaluation ◽  
Dual Inhibitors

Design, synthesis and in vitro evaluation of phenylbenzamidine derivatives as SSRIs

2007 ◽  
Vol 18 (7) ◽  
pp. 814-816 ◽  
Author(s):  
Jing Yang ◽  
Xiaofang Wang ◽  
Hui Wen ◽  
Fang Qin ◽  
Guang Zhong Yang
Keyword(s):  
Design Synthesis ◽  
In Vitro Evaluation

scholarly journals Design, Synthesis, and Biological Evaluation of Pyridineamide Derivatives Containing a 1,2,3-Triazole Fragment as Type II c-Met Inhibitors

Molecules ◽  
2019 ◽  
Vol 25 (1) ◽  
pp. 10 ◽  
Author(s):  
Hehua Xiong ◽  
Jianxin Cheng ◽  
Jianqing Zhang ◽  
Qian Zhang ◽  
Zhen Xiao ◽  
...  
Keyword(s):  
Antitumor Activity ◽  
Cell Lines ◽  
Inhibitory Activity ◽  
Docking Simulation ◽  
Binding Mode ◽  
Biological Evaluation ◽  
Design Synthesis ◽  
Ic50 Values ◽  
Mcf 7

A series of 4-(pyridin-4-yloxy)benzamide derivatives containing a 1,2,3-triazole fragment were designed, synthesized, and their inhibitory activity against A549, HeLa, and MCF-7 cancer cell lines was evaluated. Most compounds exhibited moderate to potent antitumor activity against the three cell lines. Among them, the promising compound B26 showed stronger inhibitory activity than Golvatinib, with IC50 values of 3.22, 4.33, and 5.82 μM against A549, HeLa, and MCF-7 cell lines, respectively. The structure–activity relationships (SARs) demonstrated that the modification of the terminal benzene ring with a single electron-withdrawing substituent (fluorine atom) and the introduction of a pyridine amide chain with a strong hydrophilic group (morpholine) to the hinge region greatly improved the antitumor activity. Meanwhile, the optimal compound B26 showed potent biological activity in some pharmacological experiments in vitro, such as cell morphology study, dose-dependent test, kinase activity assay, and cell cycle experiment. Finally, the molecular docking simulation was performed to further explore the binding mode of compound B26 with c-Met.

Design, synthesis, in-vitro evaluation and molecular docking studies of novel indole derivatives as inhibitors of SIRT1 and SIRT2

2019 ◽  
Vol 92 ◽  
pp. 103281 ◽  
Author(s):  
Ramu Manjula ◽  
Nikhila Gokhale ◽  
Sruthi Unni ◽  
Prashant Deshmukh ◽  
Rajkumar Reddyrajula ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Indole Derivatives ◽  
Design Synthesis ◽  
In Vitro Evaluation ◽  
Molecular Docking Studies

scholarly journals Design, synthesis and in vitro evaluation against human cancer cells of 5-methyl-5-styryl-2,5-dihydrofuran-2-ones, a new series of goniothalamin analogues

2013 ◽  
Vol 21 (17) ◽  
pp. 5107-5117 ◽  
Author(s):  
Marjorie Bruder ◽  
Débora Barbosa Vendramini-Costa ◽  
João Ernesto de Carvalho ◽  
Ronaldo Aloise Pilli
Keyword(s):  
Cancer Cells ◽  
Human Cancer ◽  
Design Synthesis ◽  
In Vitro Evaluation ◽  
Human Cancer Cells
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