Jingshan Shen

Serotonin Reuptake Inhibition Reduces NMDAR-Associated Reward Liability Without Compromising Rapid Antidepressant Efficacy

This study shows that combining serotonin reuptake inhibition with NMDAR antagonism reduces reward-related effects while maintaining rapid antidepressant efficacy.

F-CPI: Prediction of activity changes induced by fluorine substitution using multimodal deep learning

This study introduces F-CPI, a deep learning model to predict activity changes from fluorine substitution in drugs, achieving 89% accuracy and demonstrating its utility in optimizing SARS-CoV-2 3CLpro inhibitors.

Automated design and optimization of multitarget schizophrenia drug candidates by deep learning

This paper develops a deep learning system to design multitarget antipsychotic drugs, generating novel compounds with activity against multiple receptors and demonstrating efficacy in animal models.

Structural Basis for the Inhibition of the RNA-Dependent RNA Polymerase from SARS-CoV-2 by Remdesivir

This study reports the structure of SARS-CoV-2 RdRp with and without Remdesivir, showing how the drug inhibits viral RNA replication by terminating chain elongation.

Discovery of baicalin and baicalein as novel, natural product inhibitors of SARS-CoV-2 3CL protease in vitro

Baicalin and baicalein from Scutellaria baicalensis inhibit SARS-CoV-2 3CL protease non-covalently; a 2.2 Å baicalein complex structure shows an unusual shield-like binding mode.