List of works - Jian Wang

Based on the Virtual Screening of Multiple Pharmacophores, Docking and Molecular Dynamics Simulation Approaches toward the Discovery of Novel HPPD Inhibitors

scientific article published on 03 August 2020

Bioactivatable Pseudotripeptidization of Cyclic Dipeptides To Increase the Affinity toward Oligopeptide Transporter 1 for Enhanced Oral Absorption: An Application to Cyclo(l-Hyp-l-Ser) (JBP485)

scientific article published on 03 September 2019

Computational Insight into Protein Tyrosine Phosphatase 1B Inhibition: A Case Study of the Combined Ligand- and Structure-Based Approach

scientific article published on 26 December 2017

Computational insights into the sorption mechanism of environmental contaminants by carbon nanoparticles through molecular dynamics simulation and density functional theory

scientific article published on 24 November 2020

Computational investigation of imidazopyridine analogs as protein kinase B (Akt1) allosteric inhibitors by using 3D-QSAR, molecular docking and molecular dynamics simulations

scientific article published on 26 December 2019

Computational investigation reveals Picrasidine C as selective PPARα lead: binding pattern, selectivity mechanism and ADME/tox profile

scientific article published on 12 December 2019

Design, synthesis and biological evaluation of novel series of 2H-benzo[b][1,4]oxazin-3(4H)-one and 2H-benzo[b][1,4]oxazine scaffold derivatives as PI3Kα inhibitors

scientific article published on 18 June 2018

Dipeptidyl Peptidase-4 Is a Target Protein of Epigallocatechin-3-Gallate

scientific article published on 11 February 2020

Discovery of small molecule inhibitors through pharmacophore modeling, molecular docking, molecular dynamics simulation and experimental validation against myeloid cell leukemia-1 (Mcl-1)

scientific article published on 31 March 2020

Exploring the Resistance Mechanisms of Distal D835V Mutation in FLT3 to Inhibitors

scientific article published on 28 March 2022

Homology modeling, molecular dynamics and virtual screening of endothelin-A receptor for the treatment of pulmonary arterial hypertension

scientific article published on 20 May 2020

In Silico Exploration of the Molecular Mechanism of Cassane Diterpenoids on Anti-inflammatory and Immunomodulatory Activity

scientific article published on 14 March 2019

Molecular docking, 3D-QSAR, and molecular dynamics simulations of thieno[3,2-b]pyrrole derivatives against anticancer targets of KDM1A/LSD1

scientific article published on 21 February 2020

Refined homology model of cytochrome bcc complex B subunit for virtual screening of potential anti-tuberculosis agents

scientific article published on 06 November 2019

Repurposing of cefpodoxime proxetil as potent neuroprotective agent through computational prediction and in vitro validation

scientific article published on 25 May 2020

Revealing the Interaction Modes of 5-HT2A Receptor Antagonists and the Structure-Based Virtual Screening from FDA and TCMNP Database

scientific article published on 14 May 2020

Soluplus-Mediated Diosgenin Amorphous Solid Dispersion with High Solubility and High Stability: Development, Characterization and Oral Bioavailability

scientific article published on 27 July 2020

The Ameliorative Effects of Arctiin and Arctigenin on the Oxidative Injury of Lung Induced by Silica via TLR-4/NLRP3/TGF-<i>β</i> Signaling Pathway

scientific article published on 17 July 2021

List of works by Jian Wang