Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation …

O Abchir, O Daoui, S Belaidi, M Ouassaf… - Journal of Molecular …, 2022 - Springer
In the present study, a quantitative relationship between the biological inhibitory activity of
alpha-amylase and molecular structures of novel benzimidazole derivatives is analyzed in …

Parsing structural fragments of thiazolidin-4-one based α-amylase inhibitors: A combined approach employing in vitro colorimetric screening and GA-MLR based …

R Singh, P Kumar, J Sindhu, M Devi, A Kumar… - Computers in Biology …, 2023 - Elsevier
Abstract α-Amylase (EC. 3.2. 1.1) is a ubiquitous digestive endoamylase. The abrupt rise in
blood glucose levels due to the hydrolysis of carbohydrates by α-amylase at a faster rate is …

Exploring biological efficacy of novel benzothiazole linked 2, 5-disubstituted-1, 3, 4-oxadiazole hybrids as efficient α-amylase inhibitors: Synthesis, characterization …

M Duhan, P Kumar, J Sindhu, R Singh, M Devi… - Computers in Biology …, 2021 - Elsevier
In an effort to explore a class of novel antidiabetic agents, we have made an effort to
synergize the α-amylase inhibitory potential of 1, 3-benzothiazole and 1, 3, 4-oxadiazole …

Design and synthesis of 2-amino-4,6-diarylpyrimidine derivatives as potent α-glucosidase and α-amylase inhibitors: structure–activity relationship, in vitro, QSAR …

EU Mughal, S Amjid, A Sadiq, N Naeem… - Journal of …, 2024 - Taylor & Francis
In the present study, a series of 2-amino-4, 6-diarylpyrimidine derivatives was designed,
synthesized, characterized and evaluated for their in vitro α-glucosidase and α-amylase …

Synthesis, molecular docking and QSAR study of thiazole clubbed pyrazole hybrid as α-amylase inhibitor

M Duhan, R Singh, M Devi, J Sindhu… - Journal of …, 2021 - Taylor & Francis
In search of potent α-amylase inhibitors, herein we report the synthesis, molecular docking
and QSAR study of some thiazole clubbed pyrazole hybrids (TCPH) ie, 1-((1-phenyl-3-aryl-1 …

Quantitative structure activity relationship studies of novel hydrazone derivatives as α-amylase inhibitors with index of ideality of correlation

M Duhan, J Sindhu, P Kumar, M Devi… - Journal of …, 2022 - Taylor & Francis
The present manuscript describes the synthesis, α-amylase inhibition, in silico studies and in-
depth quantitative structure–activity relationship (QSAR) of a library of aroyl hydrazones …

Identification of potential N-substituted 5-benzylidenethiazolidine-2, 4‑dione derivatives as α-amylase inhibitors: Computational cum synthetic studies

S Gupta, GS Baweja, GD Gupta, V Asati - Journal of Molecular Structure, 2023 - Elsevier
Diabetes mellitus is a chronic metabolic disorder become a major health problem globally
associated with social and economic consequences. α-amylase is an endo-amylase …

[HTML][HTML] Design of new α-glucosidase inhibitors through a combination of 3D-QSAR, ADMET screening, molecular docking, molecular dynamics simulations and …

A Khaldan, S Bouamrane, R El-mernissi… - Arabian Journal of …, 2024 - Elsevier
Diabetes mellitus is a chronic and non-infectious metabolic disorder caused by insufficient
insulin secretion. This study investigated a set of thirty-one 4-amino-1, 2, 4-triazole …

Discovery of novel coumarin analogs against the α-glucosidase protein target of Diabetes mellitus: Pharmacophore-based QSAR, docking, and molecular dynamics …

AK Maurya, V Mulpuru, N Mishra - ACS omega, 2020 - ACS Publications
Diabetes mellitus (DM) is a chronic metabolic disease, the third killer of mankind. The finding
of potent drugs against diabetes remains challenging. In the present study, coumarin …

In silico drug discovery of Acetylcholinesterase and Butyrylcholinesterase enzymes inhibitors based on Quantitative Structure-Activity Relationship (QSAR) and drug …

W Sobhi, A Attoui, T Lemaoui, A Erto… - Journal of Molecular …, 2021 - Elsevier
In the last years, in order to achieve a better treatment of Alzheimer's disease (AD), much
focus has been put on the development of cholinesterase (Acetylcholinesterase and …