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An amalgamated molecular dynamic and Gaussian based 3D-QSAR study for the design of 2,4-thiazolidinediones as potential PTP1B inhibitors

Avadh Biharee, Yogesh Singh, Swanand Kulkarni, Kailash Jangid, Vinod Kumar, Akhlesh Kumar Jain, Suresh Thareja

2023Journal of Molecular Graphics and Modelling13 citationsDOI

Topics & Concepts

Quantitative structure–activity relationshipThiazolidinedioneRosiglitazoneChemistryProtein Data Bank (RCSB PDB)StereochemistryDrugBankDrugDiabetes mellitusPharmacologyComputational biologyMedicineBiochemistryType 2 diabetesBiologyEndocrinologyReceptorProtein Tyrosine PhosphatasesGalectins and Cancer BiologyBioactive Compounds and Antitumor Agents
An amalgamated molecular dynamic and Gaussian based 3D-QSAR study for the design of 2,4-thiazolidinediones as potential PTP1B inhibitors | Litcius