Synthesis, molecular modeling, and biological evaluation of quinazoline derivatives containing the 1,3,4-oxadiazole scaffold as novel inhibitors of VEGFR2

RSC Advances ◽  
2015 ◽  
Vol 5 (26) ◽  
pp. 19914-19923 ◽  
Author(s):  
Fang Qiao ◽  
Yong Yin ◽  
Yu-Ning Shen ◽  
She-Feng Wang ◽  
Shao Sha ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Inhibitory Activity ◽  
Anticancer Agent ◽  
Biological Evaluation ◽  
Quinazoline Derivatives ◽  
Inhibitory Activities ◽  
Potent Inhibitory Activity ◽  
Mcf 7

A series of 4-alkoxyquinazoline derivatives containing the 1,3,4-oxadiazole scaffold were designed and synthesized. Their inhibitory activities were tested against A549, MCF-7 and Hela. 4j showed the most potent inhibitory activity and may be a potential anticancer agent.

scholarly journals Synthesis and biological evaluation of novel 6-alkoxy-3-aryl-[1,2,4]triazolo[4,3-b][1,2,4,5] tetrazines

2019 ◽  
Vol 43 (9-10) ◽  
pp. 313-318 ◽  
Author(s):  
Run-Jie Shi ◽  
Zhen-Zhen Yang ◽  
Ye-Tao Gao ◽  
Wen-Jin Cai ◽  
Can Ye ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Hydrogen Bonds ◽  
Inhibitory Activity ◽  
Anticancer Agent ◽  
Biological Evaluation ◽  
Antitumor Activities ◽  
Synthesis And Biological Evaluation ◽  
Potent Inhibitory Activity ◽  
Antiproliferative Activities ◽  
Mcf 7

A series of 6-alkoxy-3-aryl-[1,2,4]triazolo[4,3- b][1,2,4,5] tetrazine derivatives is synthesized and evaluated for their antitumor activities. These compounds exhibit potent antiproliferative activities against A549, Bewo, and MCF-7 cells. Molecular docking is performed to study the inhibitor–c-Met kinase interactions, and the results show that 6-ethoxyl-3-phenylethyl-[1,2,4]triazolo[4,3- b][1,2,4,5] tetrazine is potently bound to c-Met kinase with two hydrogen bonds and one π–π interaction. Based on these preliminary results, it is thought that compound 6-ethoxyl-3-phenylethyl-[1,2,4]triazolo[4,3- b][1,2,4,5] tetrazine with potent inhibitory activity may be a potential anticancer agent.

Synthesis, molecular modeling and biological evaluation of cinnamic acid derivatives with pyrazole moieties as novel anticancer agents

RSC Advances ◽  
2014 ◽  
Vol 4 (70) ◽  
pp. 37197-37207 ◽  
Author(s):  
Wei-Ming Zhang ◽  
Man Xing ◽  
Ting-Ting Zhao ◽  
Yu-Jia Ren ◽  
Xian-Hui Yang ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Cinnamic Acid ◽  
Anticancer Agents ◽  
Inhibitory Activity ◽  
Anticancer Agent ◽  
Biological Evaluation ◽  
Cinnamic Acid Derivatives ◽  
Her 2

Compound 30e with potent EGFR and HER-2 inhibitory activity may be a potential anticancer agent.

Design, Synthesis and Biological Evaluation of Novel Urea and Thiourea Bearing thieno[3,2-d]-pyrimidines as PI3 Kinase Inhibitors

2018 ◽  
Vol 18 (6) ◽  
pp. 891-902 ◽  
Author(s):  
Srinu Bodige ◽  
Parameshwar Ravula ◽  
Kali Charan Gulipalli ◽  
Srinivas Endoori ◽  
J.N. Narendra Sharath Chandra ◽  
...  
Keyword(s):  
Anticancer Activity ◽  
Cell Lines ◽  
Inhibitory Activity ◽  
Intracellular Signaling ◽  
Research Work ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Intracellular Enzyme ◽  
Ht 29 ◽  
Mcf 7

Background: Phosphatidylinositol-3-kinase α (PI3Kα) is a ubiquitous intracellular enzyme, mainly involved in intracellular signaling pathways, promotes cellular growth, proliferation, and differentiation. Therefore, inhibition of PI3K can be a hotspot in molecular targeted therapy for the treatment of cancer. Methods: The present research work involves molecular docking studies performed to screen derivatives of urea and thiourea bearing thieno [3,2-d]-pyrimidines against the active site of PI3K enzyme using MOE.2008.10. The designed structures (6a-f) and (7a-j) were synthesized by the facile synthetic methods and evaluated for their anticancer activity against HT-29 and MCF-7 cell lines and inhibitory activity against PI3Kα enzyme. Results: Among the tested compounds, 4-(4-(2-(3-(pyrimidin-2-yl)thioureido)ethyl)piperazin-1-yl)thieno[3,2- d]pyrimidine-6-carboxamide (7f) showed the highest anticancer activity against HT-29 and MCF-7 cell lines with IC50 values of 2.18 µM and 4.25 µM, respectively. Further, the same compound also exhibited potent PI3Kα inhibitory activity with IC50 value of 1.26 µM. Conclusion: Docking studies supported the initial pharmacophoric hypothesis and suggested a mode of interaction at the active binding site of PI3Kα, demonstrating that the target compounds were potential inhibitory agents for cancer therapy.

scholarly journals A New CDK2 Inhibitor with 3-Hydrazonoindolin-2-One Scaffold Endowed with Anti-Breast Cancer Activity: Design, Synthesis, Biological Evaluation, and In Silico Insights

Molecules ◽  
2021 ◽  
Vol 26 (2) ◽  
pp. 412
Author(s):  
Mohammad M. Al-Sanea ◽  
Ahmad J. Obaidullah ◽  
Mohamed E. Shaker ◽  
Garri Chilingaryan ◽  
Mohammed M. Alanazi ◽  
...  
Keyword(s):  
Breast Cancer ◽  
Cell Cycle ◽  
Cell Line ◽  
Inhibitory Activity ◽  
Flow Cytometric Analysis ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Intrinsic Activity ◽  
Binding Interaction ◽  
Mcf 7

Background: Cyclin-dependent kinases (CDKs) regulate mammalian cell cycle progression and RNA transcription. Based on the structural analysis of previously reported CDK2 inhibitors, a new compound with 3-hydrazonoindolin-2-one scaffold (HI 5) was well designed, synthesized, and biologically evaluated as a promising anti-breast cancer hit compound. Methods: The potential anti-cancerous effect of HI 5 was evaluated using cytotoxicity assay, flow cytometric analysis of apoptosis and cell cycle distribution, ELISA immunoassay, in vitro CDK2/cyclin A2 activity, and molecular operating environment (MOE) virtual docking studies. Results: The results revealed that HI 5 exhibits pronounced CDK2 inhibitory activity and cytotoxicity in human breast cancer MCF-7 cell line. The cytotoxicity of HI 5 was found to be intrinsically mediated apoptosis, which in turn, is associated with low Bcl-2 expression and high activation of caspase 3 and p53. Besides, HI 5 blocked the proliferation of the MCF-7 cell line and arrested the cell cycle at the G2/M phase. The docking studies did not confirm which one of geometric isomers (syn and anti) is responsible for binding affinity and intrinsic activity of HI 5. However, the molecular dynamic studies have confirmed that the syn-isomer has more favorable binding interaction and thus is responsible for CDK2 inhibitory activity. Discussion: These findings displayed a substantial basis of synthesizing further derivatives based on the 3-hydrazonoindolin-2-one scaffold for favorable targeting of breast cancer.

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.

GC-MS Investigation and Acetylcholinesterase Inhibitory Activity of Galanthus rizehensis

2013 ◽  
Vol 68 (3-4) ◽  
pp. 118-124 ◽  
Author(s):  
Buket Bozkurt Sarikaya ◽  
Nehir Unver Somer ◽  
Gulen Irem Kaya ◽  
Mustafa Ali Onur ◽  
Jaume Bastida ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Inhibitory Activity ◽  
Gas Chromatography Mass Spectrometry ◽  
Acetylcholinesterase Inhibitory Activity ◽  
Aerial Parts ◽  
Chromatography Mass Spectrometry ◽  
Inhibitory Activities ◽  
Alkaloid Extracts ◽  
Potent Inhibitory Activity

GC-MS (gas chromatography-mass spectrometry) analyses of alkaloids in the aerial parts and bulbs of Galanthus rizehensis Stern (Amaryllidaceae), collected during two different vegetation periods, was performed. Twenty three alkaloids were identified in four different alkaloid extracts. Acetylcholinesterase (AChE) inhibitory activities of the alkaloid extracts were tested. Both the highest alkaloid diversity and the most potent inhibitory activity (IC50 12.94 μg/ml) were obtained in extracts from the bulbs of G. rizehensis collected during the fruiting period.

scholarly journals Synthesis, molecular modeling and biological evaluation of aza-flavanones as α-glucosidase inhibitors

MedChemComm ◽  
2017 ◽  
Vol 8 (8) ◽  
pp. 1618-1630 ◽  
Author(s):  
Sivaprasad Kasturi ◽  
Sujatha Surarapu ◽  
Chandra Chary Bathoju ◽  
Srinivas Uppalanchi ◽  
Shubham Dwivedi ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Inhibitory Activity ◽  
Biological Evaluation ◽  
Reference Standards ◽  
Glucosidase Inhibitors ◽  
Acid Catalyzed

An efficient acid catalyzed methodology has been employed to synthesize a variety of aza-flavanones and their α-glucosidase inhibitory activity is evaluated using acarbose, miglitol and voglibose as reference standards.

scholarly journals Design, synthesis and biological evaluation of 2,3-dihydroimidazo[1,2-c]quinazoline derivatives as novel phosphatidylinositol 3-kinase and histone deacetylase dual inhibitors

RSC Advances ◽  
2017 ◽  
Vol 7 (82) ◽  
pp. 52180-52186 ◽  
Author(s):  
Yichao Wu ◽  
Weichen Dai ◽  
Xin Chen ◽  
Aixin Geng ◽  
Yadong Chen ◽  
...  
Keyword(s):  
Histone Deacetylase ◽  
Inhibitory Activity ◽  
Biological Evaluation ◽  
Design Approach ◽  
Phosphatidylinositol 3 Kinase ◽  
Design Synthesis ◽  
Dual Inhibitors ◽  
Quinazoline Derivatives ◽  
Synthesis And Biological Evaluation ◽  
Novel Design

A novel design approach by combination of PI3K and HDAC inhibitory activity in one molecule to produce dual inhibitors.

Sign in / Sign up

Export Citation Format

Share Document