Antiproliferative Evaluation and Molecular Docking studies of some Sulfonyl-α-L-amino acid Derivatives coupled with Anisamide Scaffold

2021 ◽  
Vol 0 (0) ◽  
pp. 0-0
Author(s):  
Alaaeldin Galal ◽  
khaled mahmoud
2012 ◽  
Vol 47 ◽  
pp. 52-58 ◽  
Author(s):  
Hélio A. Stefani ◽  
Giancarlo V. Botteselle ◽  
Julio Zukerman-Schpector ◽  
Ignez Caracelli ◽  
Denis da Silva Corrêa ◽  
...  

2021 ◽  
Vol 33 (8) ◽  
pp. 1849-1854
Author(s):  
M. Narasimha ◽  
B. Revanth ◽  
D. Mahender ◽  
P. Sarita Rajender

A series of triazole conjugated novel 2,4-disubstituted thiazole derivatives (9a-l) were synthesized from salicylaldehyde. These new chemical entities were characterized by their IR, 1H & 13C NMR, mass spectral data and their molecular docking studies were performed to identify potential inhibitors of CDK2 protein. The synthesized analogs 9a-l were docked with CDK2 protein (PDB: 1GIJ). Among these 9h, 9j and 9k showed better Glide score, Prime MM-GBSA and ADME properties as compared to seliciclib and dinaciclib cancer inhibiting drugs of CDK2 protein. The amino acid Val83 of CDK2 protein was consistently binding to new chemical entities indicating that amino acid is crucial and responsible for its inhibition. Present findings suggested that compound 9h has 100% human oral absorption with highest Glide score -8.3kcal/mol whereas drug molecules have feebler binding capacity and less Glide score indicating that the synthesized new chemical entity as potential inhibitor for CDK2 protein.


2015 ◽  
Vol 63 ◽  
pp. 110-115 ◽  
Author(s):  
Noorullah Baig ◽  
Rajnish Prakash Singh ◽  
Subhash Chander ◽  
Prabhat Nath Jha ◽  
Sankaranarayanan Murugesan ◽  
...  

Author(s):  
Muhammad Ahmed ◽  
Nagina Riaz ◽  
Muhammad Kashif ◽  
Muhammad Ashfaq ◽  
Muhammad Arshad ◽  
...  

N-Phthalimido β-amino acid derivatives, 3-phthalimido-3(2-hydroxyphenyl) propanoic acid (P2HPA) and 3-phthalimido-3(2-nitrophenyl) propanoic acid (P2NPA) with new series of diand triorganotin(IV) complexes (1-12) have been designed and synthesized. All the ligands and organotin(IV) complexes were characterized by elemental analysis, Fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance (1H, 13C, 119Sn) spectroscopy and electron ionization mass spectrometry (EI-MS). Synthesized ligands and complexes were screened to determine the antibacterial activity and results showed that the triorganotin(IV) complexes have better activity compared to diorganotin(IV) complexes and ligands. In addition, molecular docking analysis of ligands on the catalytic pocket of sortase A (PDB ID 1T2W) showed that the ligands can bind the active amino acid residues in the pocket. The antioxidant activity was also performed by the DPPH (1,1-diphenyl-2-picrylhydrazyl radical) method and complexes showed better results than ligands. The compounds were also tested in vivo to determine the hypoglycemic activities on different groups of alloxan induced diabetic rabbits. The complexes (1-6) were found better hypoglycemic agents as they stabilized the glucose level to about 175-105 mg dL-1 as compared to ligand P2HPA.


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