scholarly journals Molecular interaction study of commercial cyclic peptides and MERS-COV papain-like protease as novel drug candidate for MERS-COV

2017 ◽  
Author(s):  
M. A. F. Nasution ◽  
M. G. Azzuhdi ◽  
U. S. F. Tambunan
Keyword(s):  
Molecular Interaction ◽  
Cyclic Peptides ◽  
Drug Candidate ◽  
Interaction Study ◽  
Novel Drug

scholarly journals Synthesis and Acivity of Chiral Amino Alcohols and Amides as New Cholinesterase Inhibitors for Alzheimer's Disease

2021 ◽  
Author(s):  
Safak OZHAN KOCAKAYA ◽  
Ismail Yener ◽  
Abdulselam Ertaş ◽  
Mehmet Karakaplan
Keyword(s):  
Drug Candidate ◽  
Molecular Dynamics Calculations ◽  
The Right ◽  
Potential Inhibitors ◽  
Novel Drug ◽  
Related Compounds ◽  
Candidate Molecule ◽  
Score Evaluation ◽  
Novel Products

Abstract A series of biological active compounds 1–14 have been synthesized and used as potential inhibitors for AChE and BuChE. Potential inhibitor efficacy of these molecules to the target enzymes have been searched in vitro and theoretical by dock and molecular dynamic calculations. The results show that chiral amino alcohol compounds 6, 7 and 9 exhibited good value for medication scores. Among the tested compounds the best inhibition activities have been obtained with compounds 6 for AChE and BuChE by 87.68 and 92.46 % values, respectively at 50µg/mL concentration. The anticipated value of 6 also justified superb correlation with invitro statistics and it could be taken into consideration as drug candidate molecule for designing of novel drug. Potential inhibitory outcomes of those molecules on the right track proteins were investigated the use of Docking and Molecular Dynamics calculations. Dock score evaluation and Lipinski parameters have been proven those ligands are ability inhibitors against applicable enzymes. Our findings endorse that related compounds can be applied as a capacity supply of anti-alzheimer active molecules for designing novel products.

scholarly journals Suppression of AKT Anti-Apoptotic Signaling by a Novel Drug Candidate Results in Growth Arrest and Apoptosis of Hepatocellular Carcinoma Cells

PLoS ONE ◽  
2013 ◽  
Vol 8 (1) ◽  
pp. e54595 ◽  
Author(s):  
Andrea Cuconati ◽  
Courtney Mills ◽  
Cally Goddard ◽  
Xianchao Zhang ◽  
Wenquan Yu ◽  
...  
Keyword(s):  
Hepatocellular Carcinoma ◽  
Growth Arrest ◽  
Carcinoma Cells ◽  
Drug Candidate ◽  
Hepatocellular Carcinoma Cells ◽  
Apoptotic Signaling ◽  
Novel Drug

MEK inhibition in clear cell ovarian cancer with a novel drug candidate

2018 ◽  
Vol 149 ◽  
pp. 76
Author(s):  
R. Turner ◽  
K. Kim ◽  
N. Khazan ◽  
R.K. Singh ◽  
R.G. Moore
Keyword(s):  
Ovarian Cancer ◽  
Clear Cell ◽  
Drug Candidate ◽  
Mek Inhibition ◽  
Novel Drug
Sign in / Sign up

Export Citation Format

Share Document