Jiarui Lu

Xinxiang, 453003, China

Last Updated: 09/26/2026

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Found 10 publications

Fragment-based discovery of novel Baicalein derivatives as triple-target 3CLpro/PLpro/RdRp inhibitors against SARS-CoV-2.

Fragment-based discovery of novel Baicalein derivatives as triple-target 3CLpro/PLpro/RdRp inhibitors against SARS-CoV-2.

Journal: Bioorganic chemistry

Published: May 05, 2026

Integrated deep learning and multi-scale modeling for the discovery of pan-genotypic HCV NS5B polymerase inhibitors.

Integrated deep learning and multi-scale modeling for the discovery of pan-genotypic HCV NS5B polymerase inhibitors.

Journal: Molecular diversity

Published: March 12, 2026

The influence of a type I antifreeze protein and its mutants on methane hydrate adsorption-inhibition: A molecular dynamics simulation study.

The influence of a type I antifreeze protein and its mutants on methane hydrate adsorption-inhibition: A molecular dynamics simulation study.

Journal: The Journal of chemical physics

Published: February 11, 2026

Virtual screening, optimization design, and synthesis analysis of novel benzofuran derivatives as pan-genotypic HCV NS5B polymerase inhibitors using molecular modeling.

Virtual screening, optimization design, and synthesis analysis of novel benzofuran derivatives as pan-genotypic HCV NS5B polymerase inhibitors using molecular modeling.

Journal: BMC chemistry

Published: March 04, 2025

Distinct Characteristic Binding Modes of Benzofuran Core Inhibitors to Diverse Genotypes of Hepatitis C Virus NS5B Polymerase: A Molecular Simulation Study.

Distinct Characteristic Binding Modes of Benzofuran Core Inhibitors to Diverse Genotypes of Hepatitis C Virus NS5B Polymerase: A Molecular Simulation Study.

Journal: International journal of molecular sciences

Published: June 21, 2024

Unraveling the Binding Mode of Cyclic Adenosine-Inosine Monophosphate (cAIMP) to STING through Molecular Dynamics Simulations.

Unraveling the Binding Mode of Cyclic Adenosine-Inosine Monophosphate (cAIMP) to STING through Molecular Dynamics Simulations.

Journal: Molecules (Basel, Switzerland)

Published: April 30, 2024

Lysine-Specific Demethylase 1 Inhibitors: A Comprehensive Review Utilizing Computer-Aided Drug Design Technologies.

Lysine-Specific Demethylase 1 Inhibitors: A Comprehensive Review Utilizing Computer-Aided Drug Design Technologies.

Journal: Molecules (Basel, Switzerland)

Published: November 29, 2023

Design Two Novel Tetrahydroquinoline Derivatives against Anticancer Target LSD1 with 3D-QSAR Model and Molecular Simulation.

Design Two Novel Tetrahydroquinoline Derivatives against Anticancer Target LSD1 with 3D-QSAR Model and Molecular Simulation.

Journal: Molecules (Basel, Switzerland)

Published: October 23, 2022

C(sp3 )-H Hydroxylation in Diiron β-Hydroxylase CmlA Transpires by Amine-Assisted O2 Activation Avoiding FeIV 2 O2 Species.

C(sp3 )-H Hydroxylation in Diiron β-Hydroxylase CmlA Transpires by Amine-Assisted O2 Activation Avoiding FeIV 2 O2 Species.

Journal: Angewandte Chemie (International ed. in English)

Published: August 10, 2022

Design and identification of two novel resveratrol derivatives as potential LSD1 inhibitors.

Design and identification of two novel resveratrol derivatives as potential LSD1 inhibitors.

Journal: Future medicinal chemistry

Published: July 07, 2021

Showing 1-10 of 10

Last Updated: 09/26/2026