[HTML][HTML] QSAR Studies on N-aryl Derivative Activity Towards Alzheimer's Disease
KA Solomon, S Sundararajan, V Abirami - Molecules, 2009 - mdpi.com
A Quantitative Structure Activity Relationship (QSAR) study has been an attempted on a
series of 88 N-aryl derivatives which display varied inhibitory activity towards both …
series of 88 N-aryl derivatives which display varied inhibitory activity towards both …
Design and development of novel antibiotics based on FtsZ inhibition–in silico studies
AM Veselinović, A Toropov, A Toropova… - New Journal of …, 2018 - pubs.rsc.org
Current clinical therapeutics for the treatment of drug-resistant bacteria are mostly restricted
to β-lactam antibiotics in combination with β-lactamase inhibitors. However, with the …
to β-lactam antibiotics in combination with β-lactamase inhibitors. However, with the …
Synthesis and acetylcholinesterase enzyme inhibitory effects of some novel 4,5-Dihydro-1H-1,2,4-triazol-5-one derivatives; an in vitro and in silico study
In this study, a series of novel Schiff bases (4a-4h) containing 1, 2, 4-triazole structure were
synthesized through a condensation reaction of 3-alkyl (aryl)-4-amino-4, 5-dihydro-1 H-1, 2 …
synthesized through a condensation reaction of 3-alkyl (aryl)-4-amino-4, 5-dihydro-1 H-1, 2 …
[HTML][HTML] Molecular docking, chemo-informatic properties, alpha-amylase, and lipase inhibition studies of benzodioxol derivatives
Currently, available therapies for diabetes could not achieve normal sugar values in a high
percentage of treated patients. In this research project, a series of 17 benzodioxole …
percentage of treated patients. In this research project, a series of 17 benzodioxole …
In silico evaluation of phenolic compounds as inhibitors of Α-amylase and Α-glucosidase
I Abdelli, N Benariba, S Adjdir, Z Fekhikher… - Journal of …, 2021 - Taylor & Francis
The aim of the present study focuses on the molecular docking approach to screen
alternative drug that can regulate the hyperglycemia by down-regulating α-glucosidase and …
alternative drug that can regulate the hyperglycemia by down-regulating α-glucosidase and …
Machine learning-based q-RASAR approach for the in silico identification of novel multi-target inhibitors against Alzheimer's disease
In the present research, we present the application of a novel approach, termed the Machine
Learning (ML)-Based q-RASAR (quantitative read-across structure-activity relationship) …
Learning (ML)-Based q-RASAR (quantitative read-across structure-activity relationship) …
[HTML][HTML] Combined computational approaches for developing new anti-Alzheimer drug candidates: 3D-QSAR, molecular docking and molecular dynamics studies of …
Butyrylcholinesterase is an acetylcholine-degrading enzyme involved in the memorization
process, which is becoming an interesting target for the symptomatic treatment of …
process, which is becoming an interesting target for the symptomatic treatment of …
Experimental and computational interaction studies of (E)-N'-benzylidene-5-methyl-1H-pyrazole-3-carbohydrazide with α-glucosidase and α-amylase enzymes: A …
Herein we report the synthesis, DFT calculations, and molecular docking studies of a
pyrazole derivative,(E)-N'-benzylidene-5-methyl-1H-pyrazole-3-carbohydrazide (E-BMPC) …
pyrazole derivative,(E)-N'-benzylidene-5-methyl-1H-pyrazole-3-carbohydrazide (E-BMPC) …
[HTML][HTML] Multiple 3D-QSAR modeling, e-pharmacophore, molecular docking, and in vitro study to explore novel AChE inhibitors
Ligand-based and energy-optimized structure-based approaches were considered to obtain
excellent candidates as AChE inhibitors. The known AChE inhibitors were utilized to …
excellent candidates as AChE inhibitors. The known AChE inhibitors were utilized to …
[HTML][HTML] Discovery of novel 1, 2, 3-triazole derivatives as anticancer agents using QSAR and in silico structural modification
V Prachayasittikul, R Pingaew, N Anuwongcharoen… - Springerplus, 2015 - Springer
Considerable attention has been given on the search for novel anticancer drugs with respect
to the disease sequelae on human health and well-being. Triazole is considered to be an …
to the disease sequelae on human health and well-being. Triazole is considered to be an …