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 …

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 …

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 …

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 …

CORAL: probing the structural requirements for α-amylase inhibition activity of 5-(3-arylallylidene)-2-(arylimino) thiazolidin-4-one derivatives based on QSAR with …

R Singh, P Kumar, J Sindhu, A Kumar… - Journal of Biomolecular …, 2023 - Taylor & Francis
The present study aims to examine the structural requirements governing α-amylase
inhibitory activity of 5-(3-arylallylidene)-2-(arylimino) thiazolidin-4-one derivatives and their …

Computational study of 2-aryl quinoxaline derivatives as α-amylase inhibitors

L Naanaai, A El Aissouq, H Zaitan, M Bouachrine… - Chemical Data …, 2023 - Elsevier
A computational analysis combining 3D-QSAR modeling, molecular docking, and
pharmacokinetic properties (ADMET), led to the discovery of novel ligands with potent …

Design of novel benzimidazole derivatives as potential α-amylase inhibitors by 3D-QSAR modeling and molecular docking studies

K El Khatabi, I Aanouz, R El-Mernissi… - Journal of the Turkish …, 2020 - dergipark.org.tr
The enzyme α-amylase belongs to the highly conserved glycoside hydrolase family which is
regarded as a good target for the discovery of antidiabetic agents. Following a 3D-QSAR …

Recent developments in the synthesis of N‐heterocyclic compounds as α‐amylase inhibitors via in‐vitro and in‐silico analysis: Future drugs for treating diabetes

P Garg, RS Rawat, H Bhatt, S Kumar… - …, 2022 - Wiley Online Library
In nature, N‐heterocyclic compounds and their derivatives are abundant. They serve as the
building blocks of many biological entities, such as enzymes, alkaloids, hormones …

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 …