Structure-Guided Design of Novel Diarylpyrimidine-Based NNRTIs Through a Comprehensive In Silico Approach: 3D-QSAR, ADMET Evaluation, Molecular Docking, and Molecular Dynamics. [PDF]
Pharmaceuticals (Basel)Baassi M +5 more
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Cantharidin-Based Verbenone Derivatives as a Novel Insecticide against Plutella xylostella: Design, Synthesis, Insecticidal Activity Evaluation, and 3D QSAR Study. [PDF]
Biomolecules, 2023 Lee K +7 more
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Molecular Docking Study and 3D-QSAR Model for Trans-Stilbene Derivatives as Ligands of CYP1B1. [PDF]
Int J Mol SciDutkiewicz Z, Mikstacka R.
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2D, 3D-QSAR study and docking of vascular endothelial growth factor receptor 3 (VEGFR3) inhibitors for potential treatment of retinoblastoma. [PDF]
Front Pharmacol, 2023 Ren R +6 more
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Multitarget inhibition of CDK2, EGFR, and tubulin by phenylindole derivatives: Insights from 3D-QSAR, molecular docking, and dynamics for cancer therapy. [PDF]
PLoS OneAl-Zaydi KM, Baammi S, Moussaoui M.
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Mechanism of emergency phytoremediation technology based on a 3D-QSAR pharmacological model. [PDF]
Front Plant SciLi M, Wang S, Sun S.
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3D-QSAR Studies of 1,2,4-Oxadiazole Derivatives as Sortase A Inhibitors. [PDF]
Biomed Res Int, 2021 Shakour N +3 more
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3D-QSAR Design of New Bcr-Abl Inhibitors Based on Purine Scaffold and Cytotoxicity Studies on CML Cell Lines Sensitive and Resistant to Imatinib. [PDF]
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Design of Novel IRAK4 Inhibitors Using Molecular Docking, Dynamics Simulation and 3D-QSAR Studies. [PDF]
Molecules, 2022 Bhujbal SP, He W, Hah JM.
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Design and screening of novel 1,2,4-Triazole-3-thione derivatives as DCN1 inhibitors for anticardiac fibrosis based on 3D-QSAR modeling and molecular dynamics. [PDF]
Front PharmacolBian W, Guo Y.
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