scholarly journals Synthesis, Structure-Activity Relationship, Docking and Molecular Dynamic Simulation of Curcumin Analogues Against HL-60 for Anti Cancer Agents (Leukemia)

2017 ◽  
Vol 33 (5) ◽  
pp. 2164-2172 ◽  
Author(s):  
Yum Eryanti ◽  
Adel Zamri ◽  
Neni Frimayanti ◽  
Hilwan Yuda Teruna ◽  
Unang Supratmman ◽  
...  
Keyword(s):  
Molecular Dynamic Simulation ◽  
Molecular Dynamic ◽  
Dynamic Simulation ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Curcumin Analogues ◽  
Structure Activity ◽  
Anti Cancer

scholarly journals Anti-Cancer Efficacy of Silybin Derivatives - A Structure-Activity Relationship

PLoS ONE ◽  
2013 ◽  
Vol 8 (3) ◽  
pp. e60074 ◽  
Author(s):  
Chapla Agarwal ◽  
Ritambhara Wadhwa ◽  
Gagan Deep ◽  
David Biedermann ◽  
Radek Gažák ◽  
...  
Keyword(s):  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity ◽  
Anti Cancer

scholarly journals Aromatic Hydroxyl Group Plays a Critical Role in Antibacterial Activity of the Curcumin Analogues

2012 ◽  
Vol 7 (1) ◽  
pp. 1934578X1200700 ◽  
Author(s):  
Mi Kyoung Kim ◽  
Jun Cheol Park ◽  
Youhoon Chong
Keyword(s):  
Antibacterial Activity ◽  
Critical Role ◽  
Antibacterial Activities ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Hydroxyl Group ◽  
Curcumin Analogues ◽  
Structure Activity ◽  
Relationship Study

The aim of this study was to investigate the role of the aromatic substituents of the curcumin scaffold on the antibacterial activity of the resulting curcumin analogues. Six curcumin analogues with different aromatic substituents were prepared and their antibacterial activities were evaluated against two Gram-positive and four Gram-negative bacteria. The structure-activity relationship study demonstrated that antibacterial activity of the curcumin analogues was critically dependent upon the aromatic hydroxyl group. Thus, hydroxycurcumin with an additional aromatic hydroxyl group on the curcumin scaffold showed antibacterial activity against all six pathogens tested and it remained effective even against ampicillin-resistant Enterobacter cloacae. Along with the previously reported antioxidative effect, the broad-spectrum antibacterial activity of the hydroxycurcumin warrants further investigation of its biological activity as well as extensive structure-activity relationship study of the curcumin analogues with various aromatic substituents.

Structure–activity relationship studies of curcumin analogues

2009 ◽  
Vol 19 (7) ◽  
pp. 2065-2069 ◽  
Author(s):  
James R. Fuchs ◽  
Bulbul Pandit ◽  
Deepak Bhasin ◽  
Jonathan P. Etter ◽  
Nicholas Regan ◽  
...  
Keyword(s):  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Curcumin Analogues ◽  
Structure Activity

Structure–activity relationship (SAR) of parthenin analogues with pro-apoptotic activity: Development of novel anti-cancer leads

2009 ◽  
Vol 19 (15) ◽  
pp. 4394-4398 ◽  
Author(s):  
Bhahwal Ali Shah ◽  
Rajbir Kaur ◽  
Pankaj Gupta ◽  
Ajay Kumar ◽  
Vijay Kumar Sethi ◽  
...  
Keyword(s):  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity ◽  
Anti Cancer ◽  
Apoptotic Activity

scholarly journals A Computational Approach to Drug Discovery: Search for Chalcone Analogues as the Potential Candidates for Anti Colorectal Cancer (HT29)

2018 ◽  
Vol 17 (2) ◽  
pp. 64-74
Author(s):  
Neni FRIMAYANTI ◽  
Ihsan IKHTIARUDIN ◽  
Rahma DONA ◽  
Tiara Tri AGUSTINI ◽  
Fri MURDIYA ◽  
...  
Keyword(s):  
Colorectal Cancer ◽  
Molecular Dynamic ◽  
Predictive Ability ◽  
3D Qsar ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Data Set ◽  
Structure Activity

A series of 46 chalcone derivative compounds with their inhibitory activity against colorectal cancer were used as data set for developing the quantitative structure activity relationship (QSAR). 2D QSAR and 3D QSAR models have been developed with high predictive ability with r2 and r2(CV) of 0.81 and 0.78, respectively. Results from the 2D and 3D quantitative structure activity relationship models indicate that electrostatic parameter enhanced bioactivity of the chalcone derivatives. Further, docking and molecular dynamic simulation was performed using 2wft PDB ID as the molecular target of colon cancer. Based on the docking, molecular dynamic, and biological assay, it is confirmed that compound 2, cpd 4, cpd 21, cpd 23, cpd 27, cpd 32, cpd 38, and cpd 39 show better activity (active) against colorectal cancer cells.

Synthesis and Structure-Activity Relationship; Exploration of some Potent Anti-Cancer Phenyl Amidrazone Derivatives

2018 ◽  
Vol 14 (5) ◽  
pp. 468-477
Author(s):  
Almeqdad Y. Habashneh ◽  
Mustafa M. El-Abadelah ◽  
Sanaa K Bardaweel ◽  
Mutasem O. Taha
Keyword(s):  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity ◽  
Anti Cancer
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