Haiyang Zhong

Jiangsu Key Laboratory Of New Drug Research And Clinical Pharmacy
Xuzhou, China

Last Updated: 09/26/2026

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Found 13 publications

Mechanistic and kinetic insights into the radical scavenging capacity and Keap1-Nrf2 inhibition potency of A-type avenanthramides: DFT and molecular docking.

Mechanistic and kinetic insights into the radical scavenging capacity and Keap1-Nrf2 inhibition potency of A-type avenanthramides: DFT and molecular docking.

Journal: Free radical research

Published: February 06, 2026

Understanding drug-target residence time and the implications on drug discovery.

Understanding drug-target residence time and the implications on drug discovery.

Journal: Expert opinion on drug discovery

Published: January 21, 2026

Discovery of Non-benzoazacyclic V2R Antagonists for the Treatment of Autosomal Dominant Polycystic Kidney Disease.

Discovery of Non-benzoazacyclic V2R Antagonists for the Treatment of Autosomal Dominant Polycystic Kidney Disease.

Journal: Journal of medicinal chemistry

Published: November 29, 2025

Design of Selective BRD4 Inhibitors for the Treatment of Autosomal Dominant Polycystic Kidney Disease.

Design of Selective BRD4 Inhibitors for the Treatment of Autosomal Dominant Polycystic Kidney Disease.

Journal: Journal of medicinal chemistry

Published: February 13, 2025

ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design.

ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design.

Journal: Nature computational science

Published: February 04, 2025

Discovery of 5-Nitro-N-(3-(trifluoromethyl)phenyl) Pyridin-2-amine as a Novel Pure Androgen Receptor Antagonist against Antiandrogen Resistance.

Discovery of 5-Nitro-N-(3-(trifluoromethyl)phenyl) Pyridin-2-amine as a Novel Pure Androgen Receptor Antagonist against Antiandrogen Resistance.

Journal: Journal of medicinal chemistry

Published: November 07, 2024

Structural Basis for Long Residence Time c-Src Antagonist: Insights from Molecular Dynamics Simulations.

Structural Basis for Long Residence Time c-Src Antagonist: Insights from Molecular Dynamics Simulations.

Journal: International journal of molecular sciences

Published: August 28, 2024

Discovery of Novel Inhibitors of BRD4 for Treating Prostate Cancer: A Comprehensive Case Study for Considering Water Networks in Virtual Screening and Drug Design.

Discovery of Novel Inhibitors of BRD4 for Treating Prostate Cancer: A Comprehensive Case Study for Considering Water Networks in Virtual Screening and Drug Design.

Journal: Journal of medicinal chemistry

Published: December 28, 2023

Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets.

Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets.

Journal: Journal of chemical information and modeling

Published: October 26, 2023

Molecular Mechanism of Tau Misfolding and Aggregation: Insights from Molecular Dynamics Simulation.

Molecular Mechanism of Tau Misfolding and Aggregation: Insights from Molecular Dynamics Simulation.

Journal: Current medicinal chemistry

Published: December 08, 2022

The impact of cross-docked poses on performance of machine learning classifier for protein-ligand binding pose prediction.

The impact of cross-docked poses on performance of machine learning classifier for protein-ligand binding pose prediction.

Journal: Journal of cheminformatics

Published: July 29, 2021

Binding affinity and dissociation pathway predictions for a series of USP7 inhibitors with pyrimidinone scaffold by multiple computational methods.

Binding affinity and dissociation pathway predictions for a series of USP7 inhibitors with pyrimidinone scaffold by multiple computational methods.

Journal: Physical chemistry chemical physics : PCCP

Published: February 27, 2020

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Last Updated: 09/26/2026