Parsing structural fragments of thiazolidin-4-one based α-amylase inhibitors: A combined approach employing in vitro colorimetric screening and GA-MLR based QSAR modelling supported by molecular docking, molecular dynamics simulation and ADMET studies

Singh, Rahul; Kumar, Parvin; Sindhu, Jayant; Devi, Meena; Kumar, Ashwani; Lal, Sohan; Singh, Devender

doi:10.1016/j.compbiomed.2023.106776

Cited by 16 publications

(1 citation statement)

References 61 publications

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“…[10][11][12][13] Quantitative structure-property relationship (QSAR) is a computational tool for building models to predict various activities. 14,15 In this case, different machine learning packages are available to build reliable models. Among them, CORAL is one of the user-friendly packages for building valid QSAR models based on the simplied molecular-input line-entry system (SMILES) notation.…”

Section: Introductionmentioning

confidence: 99%

QSAR models for the ozonation of diverse volatile organic compounds at different temperatures

Azimi,

Ahmadi,

Javan

et al. 2024

RSC Adv.

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Section: Introductionmentioning

confidence: 99%

QSAR models for the ozonation of diverse volatile organic compounds at different temperatures

Azimi,

Ahmadi,

Javan

et al. 2024

RSC Adv.

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An underutilized bean: hyacinth bean [Lablab purpureus (L.) sweet]: bioactive compounds, functional activity, and future food prospect and applications

Zhou,

Wang,

Zhang

et al. 2024

J Sci Food Agric

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Hyacinth bean [Lablab purpureus (L.) Sweet], a plant belonging to the leguminous family and traditionally used for medicinal purposes in China, is a valuable resource with a wide range of health benefits. This review examines the bioactive compounds, health‐promoting properties and functional food potential of hyacinth bean, highlighting its role in protecting against metabolic diseases and the underlying molecular mechanisms. According to existing research, hyacinth bean contains a diverse array of bioactive compounds, Consumption of hyacinth beans and hyacinth bean‐related processed food products, as well as their use in medicines, is associated with a variety of health benefits that are increasingly favoured by the scientific community. In light of these findings, we posit that hyacinth bean holds great promise for further research and food application. © 2024 Society of Chemical Industry.

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α‐Amylase Inhibitors Based on Thiazolidinone Skeleton: A Promising Approach in Diabetes Management

Singh,

Sindhu,

Kumar

et al. 2023

ChemistrySelect

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Thiazolidinone scaffold has become a promising scaffold when it comes to therapeutic importance, and researchers are quite interested in it because of its wide range of applications in the different fields of chemistry. The capacity of this nucleus to interact with a variety of biological targets, including the peroxisome proliferator‐activated receptor (PPAR), protein tyrosine phosphatase 1B, aldose reductase, α‐glucosidase, and α‐amylase, has led to the observation of its antidiabetic effect. α‐Amylase (α‐1,4‐glucan‐4‐glucanohydrolase, EC 3.2.1.1) is one of the most important industrial endoamylases capable of hydrolyzing the internal α‐1,4‐glycosidic bonds in polysaccharides with net retention of α‐anomeric configuration in low molecular weight products, such as glucose, maltose, and maltotriose units. The inhibitors of α‐amylase have the ability to lower endogenous activity, which is crucial for the management of agricultural pests as well as the treatment and prevention of human disorders. In the present review, we attempted to compile the most recent studies on thiazolidinone‐based α‐amylase inhibitors, investigate their therapeutic potential in treating diabetes, comprehend the relationships between structure and activity, offer suggestions for future research and translation of these findings into clinical applications. This comprehensive review strives to be a valuable resource for researchers, medicinal chemists, and healthcare professionals involved in developing and applying novel therapeutics for treating metabolic disorders.

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Parsing structural fragments of thiazolidin-4-one based α-amylase inhibitors: A combined approach employing in vitro colorimetric screening and GA-MLR based QSAR modelling supported by molecular docking, molecular dynamics simulation and ADMET studies

Cited by 16 publications

References 61 publications

QSAR models for the ozonation of diverse volatile organic compounds at different temperatures

QSAR models for the ozonation of diverse volatile organic compounds at different temperatures

An underutilized bean: hyacinth bean [Lablab purpureus (L.) sweet]: bioactive compounds, functional activity, and future food prospect and applications

α‐Amylase Inhibitors Based on Thiazolidinone Skeleton: A Promising Approach in Diabetes Management

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