CORAL: probing the structural requirements for α-amylase inhibition activity of 5-(3-arylallylidene)-2-(arylimino)thiazolidin-4-one derivatives based on QSAR with correlation intensity index, molecular docking, molecular dynamics, and ADMET studies-Reference-Cited by-同舟云学术

CORAL: probing the structural requirements for α-amylase inhibition activity of 5-(3-arylallylidene)-2-(arylimino)thiazolidin-4-one derivatives based on QSAR with correlation intensity index, molecular docking, molecular dynamics, and ADMET studies

Published:2023-10-10 Issue: Volume: Page:1-18
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Singh Rahul¹,Kumar Parvin¹^ORCID,Sindhu Jayant²,Kumar Ashwani³,Lal Sohan¹

Affiliation:

1. Department of Chemistry, Kurukshetra University, Kurukshetra, India

2. Department of Chemistry, COBS&H, CCS Haryana Agricultural University, Hisar, India

3. Department of Pharmaceutical Sciences, GJUS&T, Hisar, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2265490

Reference66 articles.

1. Synthesis and molecular modeling studies of naphthazarin derivatives as novel selective inhibitors of α-glucosidase and α-amylase

2. Identification of Novel Natural Dual HDAC and Hsp90 Inhibitors for Metastatic TNBC Using e-Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Studies

3. Computational investigation of phytochemicals from Withania somnifera (Indian ginseng/ashwagandha) as plausible inhibitors of GluN2B-containing NMDA receptors

4. Predictive QSAR modeling for the antioxidant activity of natural compounds derivatives based on Monte Carlo method

5. Correlation intensity index: mathematical modeling of cytotoxicity of metal oxide nanoparticles

Cited by 8 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Structural attributes driving λmax towards NIR region: A QSPR approach;Chemometrics and Intelligent Laboratory Systems;2024-09

2. Synthesis of thiazolidine-2,4-dione tethered 1,2,3-triazoles as α-amylase inhibitors: In vitro approach coupled with QSAR, molecular docking, molecular dynamics and ADMET studies;European Journal of Medicinal Chemistry;2024-09

3. Multicellular target QSAR models for predicting of novel inhibitors against pancreatic cancer by Monte Carlo approach;Results in Chemistry;2024-08

4. The coefficient of conformism of a correlative prediction (CCCP): Building up reliable nano-QSPRs/QSARs for endpoints of nanoparticles in different experimental conditions encoded via quasi-SMILES;Science of The Total Environment;2024-06

5. Magnetic and Microstructural Properties of Nanostructured/Amorphous NiTi Prepared by Mechanical Alloying;Journal of Superconductivity and Novel Magnetism;2024-05-21