Lei Shi

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 44

Top Venues

ACS chemical neuroscience

Journal of chemical information and modeling

ACS pharmacology & translational science

Journal of medicinal chemistry

National Institutes of Health

This page only lists publications with an associated author ORCID identifier.

Affiliation History

National Institutes of Health

United States

Investigator :: National Institute on Drug Abuse - Intramural Research Program

Publications

Kuo-Hao Lee, Gisela Andrea Camacho-Hernandez, Amy Hauck Newman, Lei Shi
The Structural Basis of the Activity Cliff in Modafinil-Based Dopamine Transporter Inhibitors. Biomolecules 14 (6) (2024)
Ana Semeano, Rian Garland, Alessandro Bonifazi, Kuo Hao Lee, John Famiglietti, Wenqi Zhang, Yoon Jae Jo, Francisco O Battiti, Lei Shi, Amy Hauck Newman, Hideaki Yano
Linkers in Bitopic Agonists Shape Bias Profile among Transducers for the Dopamine D2 and D3 Receptors. ACS pharmacology & translational science 7 (8) (2024)
Therese C Ku, Jianjing Cao, Sung Joon Won, Jiqing Guo, Gisela A Camacho-Hernandez, Amarachi V Okorom, Kristine Walloe Salomon, Kuo Hao Lee, Claus J Løland, Henry J Duff, Lei Shi, Amy Hauck Newman
Series of (([1,1'-Biphenyl]-2-yl)methyl)sulfinylalkyl Alicyclic Amines as Novel and High Affinity Atypical Dopamine Transporter Inhibitors with Reduced hERG Activity. ACS pharmacology & translational science 7 (2) (2024)
Kuo Hao Lee, Sung Joon Won, Precious Oyinloye, Lei Shi
Unlocking the Potential of High-Quality Dopamine Transporter Pharmacological Data: Advancing Robust Machine Learning-Based QSAR Modeling. bioRxiv : the preprint server for biology (2024)
Kuo-Hao Lee, Gisela Andrea Camacho-Hernandez, Amy Hauck Newman, Lei Shi
The Structural Basis of the Activity Cliff in Modafinil-Based Dopamine Transporter Inhibitors. Biomolecules 14 (6) (2024)
Kuo Hao Lee, Lei Shi
Unraveling Activation-Related Rearrangements and Intrinsic Divergence from Ligand-Specific Conformational Changes of the Dopamine D3 and D2 Receptors. Journal of chemical information and modeling (2024)
Meng-Hua M Tsai, Li Chen, Michael H Baumann, Meritxell Canals, Jonathan A Javitch, J Robert Lane, Lei Shi
In Vitro Functional Profiling of Fentanyl and Nitazene Analogs at the μ-Opioid Receptor Reveals High Efficacy for Gi Protein Signaling. ACS chemical neuroscience 15 (4) (2024)
Ana Semeano, Rian Garland, Alessandro Bonifazi, Kuo Hao Lee, John Famiglietti, Wenqi Zhang, Yoon Jae Jo, Francisco O Battiti, Lei Shi, Amy Hauck Newman, Hideaki Yano
Linkers in Bitopic Agonists Shape Bias Profile among Transducers for the Dopamine D2 and D3 Receptors. ACS pharmacology & translational science 7 (8) (2024)
Kuo Hao Lee, Lei Shi
Unraveling Activation-Related Rearrangements and Intrinsic Divergence from Ligand-Specific Conformational Changes of the Dopamine D3 and D2 Receptors. Journal of chemical information and modeling (2024)
Meng-Hua M Tsai, Li Chen, Michael H Baumann, Meritxell Canals, Jonathan A Javitch, J Robert Lane, Lei Shi
In Vitro Functional Profiling of Fentanyl and Nitazene Analogs at the μ-Opioid Receptor Reveals High Efficacy for Gi Protein Signaling. ACS chemical neuroscience (2024)
Therese C Ku, Jianjing Cao, Sung Joon Won, Jiqing Guo, Gisela A Camacho-Hernandez, Amarachi V Okorom, Kristine Walloe Salomon, Kuo Hao Lee, Claus J Løland, Henry J Duff, Lei Shi, Amy Hauck Newman
Series of (([1,1'-Biphenyl]-2-yl)methyl)sulfinylalkyl Alicyclic Amines as Novel and High Affinity Atypical Dopamine Transporter Inhibitors with Reduced hERG Activity. ACS pharmacology & translational science 7 (2) (2024)
Kuo-Hao Lee, Gisela Andrea Camacho-Hernandez, Amy Hauck Newman, Lei Shi
The Structural Basis of the Activity Cliff in Modafinil-Based Dopamine Transporter Inhibitors. Biomolecules 14 (6) (2024)
Meng-Hua M Tsai, Li Chen, Michael H Baumann, Meritxell Canals, Jonathan A Javitch, J Robert Lane, Lei Shi
In Vitro Functional Profiling of Fentanyl and Nitazene Analogs at the μ-Opioid Receptor Reveals High Efficacy for Gi Protein Signaling. ACS chemical neuroscience 15 (4) (2024)
Kuo Hao Lee, Lei Shi
Unraveling Activation-Related Rearrangements and Intrinsic Divergence from Ligand-Specific Conformational Changes of the Dopamine D3 and D2 Receptors. Journal of chemical information and modeling 64 (6) (2024)
Meng-Hua M Tsai, Li Chen, Michael H Baumann, Meritxell Canals, Jonathan A Javitch, J Robert Lane, Lei Shi
In Vitro Functional Profiling of Fentanyl and Nitazene Analogs at the μ-Opioid Receptor Reveals High Efficacy for Gi Protein Signaling. ACS chemical neuroscience 15 (4) (2024)
Ana Semeano, Rian Garland, Alessandro Bonifazi, Kuo Hao Lee, John Famiglietti, Wenqi Zhang, Yoon Jae Jo, Francisco O Battiti, Lei Shi, Amy Hauck Newman, Hideaki Yano
Linkers in Bitopic Agonists Shape Bias Profile among Transducers for the Dopamine D2 and D3 Receptors. ACS pharmacology & translational science 7 (8) (2024)
Meng-Hua M Tsai, Li Chen, Michael H Baumann, Meritxell Canals, Jonathan A Javitch, J Robert Lane, Lei Shi
In Vitro Functional Profiling of Fentanyl and Nitazene Analogs at the μ-Opioid Receptor Reveals High Efficacy for Gi Protein Signaling. ACS chemical neuroscience 15 (4) (2024)
Kuo Hao Lee, Sung Joon Won, Precious Oyinloye, Lei Shi
Unlocking the Potential of High-Quality Dopamine Transporter Pharmacological Data: Advancing Robust Machine Learning-Based QSAR Modeling. bioRxiv : the preprint server for biology (2024)
Kuo Hao Lee, Lei Shi
Unraveling Activation-Related Rearrangements and Intrinsic Divergence from Ligand-Specific Conformational Changes of the Dopamine D3 and D2 Receptors. Journal of chemical information and modeling 64 (6) (2024)
Kuo Hao Lee, Lei Shi
Unraveling Activation-Related Rearrangements and Intrinsic Divergence from Ligand-Specific Conformational Changes of the Dopamine D3 and D2 Receptors. Journal of chemical information and modeling 64 (6) (2024)
Amarachi V Okorom, Gisela Andrea Camacho-Hernandez, Kristine Walloe Salomon, Kuo Hao Lee, Therese C Ku, Jianjing Cao, Sung Joon Won, Jacob Friedman, Jenny Lam, James Paule, Rana Rais, Benjamin Klein, Zheng-Xiong Xi, Lei Shi, Claus J Løland, Amy Hauck Newman
Modifications to 1-(4-(2-Bis(4-fluorophenyl)methyl)sulfinyl)alkyl Alicyclic Amines That Improve Metabolic Stability and Retain an Atypical DAT Inhibitor Profile. Journal of medicinal chemistry 67 (1) (2023)
Hideaki Yano, Rezvan Chitsazi, Christopher Lucaj, Phuong Tran, Alexander F Hoffman, Michael H Baumann, Carl R Lupica, Lei Shi
Subtle Structural Modification of a Synthetic Cannabinoid Receptor Agonist Drastically Increases its Efficacy at the CB1 Receptor. ACS chemical neuroscience (2023)
Amarachi V Okorom, Gisela Andrea Camacho-Hernandez, Kristine Walloe Salomon, Kuo Hao Lee, Therese C Ku, Jianjing Cao, Sung Joon Won, Jacob Friedman, Jenny Lam, James Paule, Rana Rais, Benjamin Klein, Zheng-Xiong Xi, Lei Shi, Claus J Løland, Amy Hauck Newman
Modifications to 1-(4-(2-Bis(4-fluorophenyl)methyl)sulfinyl)alkyl Alicyclic Amines That Improve Metabolic Stability and Retain an Atypical DAT Inhibitor Profile. Journal of medicinal chemistry 67 (1) (2023)
Kristine Walloe Salomon, Ara M Abramyan, Per Plenge, Lingle Wang, Christoffer Bundgaard, Benny Bang-Andersen, Claus J Løland, Lei Shi
Dynamic extracellular vestibule of human SERT: Unveiling druggable potential with high-affinity allosteric inhibitors. Proceedings of the National Academy of Sciences of the United States of America 120 (41) (2023)
Alexander Goldberg, Bing Xie, Lei Shi
The Molecular Mechanism of Positive Allosteric Modulation at the Dopamine D1 Receptor. International journal of molecular sciences 24 (16) (2023)
Kuo Hao Lee, Jamie J Manning, Jonathan Javitch, Lei Shi
A Novel "Activation Switch" Motif Common to All Aminergic Receptors. Journal of chemical information and modeling (2023)
Meng-Hua M Tsai, Li Chen, Michael H Baumann, Meritxell Canals, Jonathan A Javitch, J Robert Lane, Lei Shi
The in vitro functional profiles of fentanyl and nitazene analogs at the µ-opioid receptor - high efficacy is dangerous regardless of signaling bias. bioRxiv : the preprint server for biology (2023)
Amarachi V Okorom, Gisela Andrea Camacho-Hernandez, Kristine Walloe Salomon, Kuo Hao Lee, Therese C Ku, Jianjing Cao, Sung Joon Won, Jacob Friedman, Jenny Lam, James Paule, Rana Rais, Benjamin Klein, Zheng-Xiong Xi, Lei Shi, Claus J Løland, Amy Hauck Newman
Modifications to 1-(4-(2-Bis(4-fluorophenyl)methyl)sulfinyl)alkyl Alicyclic Amines That Improve Metabolic Stability and Retain an Atypical DAT Inhibitor Profile. Journal of medicinal chemistry (2023)
Kuo Hao Lee, Lei Shi
Unraveling activation-related rearrangements and intrinsic divergence from ligand-induced conformational changes of the dopamine D3 and D2 receptors. bioRxiv : the preprint server for biology (2023)
Amarachi V Okorom, Gisela Andrea Camacho-Hernandez, Kristine Walloe Salomon, Kuo Hao Lee, Therese C Ku, Jianjing Cao, Sung Joon Won, Jacob Friedman, Jenny Lam, James Paule, Rana Rais, Benjamin Klein, Zheng-Xiong Xi, Lei Shi, Claus J Løland, Amy Hauck Newman
Modifications to 1-(4-(2-Bis(4-fluorophenyl)methyl)sulfinyl)alkyl Alicyclic Amines That Improve Metabolic Stability and Retain an Atypical DAT Inhibitor Profile. Journal of medicinal chemistry 67 (1) (2023)
R Benjamin Free, Ashley N Nilson, Noelia M Boldizsar, Trevor B Doyle, Ramona M Rodriguiz, Vladimir M Pogorelov, Mayako Machino, Kuo Hao Lee, Jeremiah W Bertz, Jinbin Xu, Herman D Lim, Andrés E Dulcey, Robert H Mach, James H Woods, J Robert Lane, Lei Shi, Juan Jose Marugan, William C Wetsel, David R Sibley
Identification and Characterization of ML321: A Novel and Highly Selective D 2 Dopamine Receptor Antagonist with Efficacy in Animal Models That Predict Atypical Antipsychotic Activity. ACS pharmacology & translational science 6 (1) (2022)
R Benjamin Free, Ashley N Nilson, Noelia M Boldizsar, Trevor B Doyle, Ramona M Rodriguiz, Vladimir M Pogorelov, Mayako Machino, Kuo Hao Lee, Jeremiah W Bertz, Jinbin Xu, Herman D Lim, Andrés E Dulcey, Robert H Mach, James H Woods, J Robert Lane, Lei Shi, Juan Jose Marugan, William C Wetsel, David R Sibley
Identification and Characterization of ML321: A Novel and Highly Selective D 2 Dopamine Receptor Antagonist with Efficacy in Animal Models That Predict Atypical Antipsychotic Activity. ACS pharmacology & translational science 6 (1) (2022)
Jenny I Aguilar, Mary Hongying Cheng, Josep Font, Alexandra C Schwartz, Kaitlyn Ledwitch, Amanda Duran, Samuel J Mabry, Andrea N Belovich, Yanqi Zhu, Angela M Carter, Lei Shi, Manju A Kurian, Cristina Fenollar-Ferrer, Jens Meiler, Renae Monique Ryan, Hassane S Mchaourab, Ivet Bahar, Heinrich J G Matthies, Aurelio Galli
Psychomotor impairments and therapeutic implications revealed by a mutation associated with infantile Parkinsonism-Dystonia. eLife 10 (2021)
Kuo Hao Lee, Andrew D Fant, Jiqing Guo, Andy Guan, Joslyn Jung, Mary Kudaibergenova, Williams E Miranda, Therese Ku, Jianjing Cao, Soren Wacker, Henry J Duff, Amy Hauck Newman, Sergei Yu Noskov, Lei Shi
Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach. Journal of chemical information and modeling 61 (9) (2021)
Marta Sánchez-Soto, Ravi Kumar Verma, Blair K A Willette, Elizabeth C Gonye, Annah M Moore, Amy E Moritz, Comfort A Boateng, Hideaki Yano, R Benjamin Free, Lei Shi, David R Sibley
A structural basis for how ligand binding site changes can allosterically regulate GPCR signaling and engender functional selectivity. Science signaling 13 (617) (2020)
J Robert Lane, Ara M Abramyan, Pramisha Adhikari, Alastair C Keen, Kuo-Hao Lee, Julie Sanchez, Ravi Kumar Verma, Herman D Lim, Hideaki Yano, Jonathan A Javitch, Lei Shi
Distinct inactive conformations of the dopamine D2 and D3 receptors correspond to different extents of inverse agonism. eLife 9 (2020)
Hideaki Yano, Pramisha Adhikari, Sett Naing, Alexander F Hoffman, Michael H Baumann, Carl R Lupica, Lei Shi
Positive Allosteric Modulation of the 5-HT1A Receptor by Indole-Based Synthetic Cannabinoids Abused by Humans. ACS chemical neuroscience 11 (10) (2020)
Per Plenge, Ara M Abramyan, Gunnar Sørensen, Arne Mørk, Pia Weikop, Ulrik Gether, Benny Bang-Andersen, Lei Shi, Claus J Løland
The mechanism of a high-affinity allosteric inhibitor of the serotonin transporter. Nature communications 11 (1) (2020)
Jordi Bonaventura, Mark A G Eldridge, Feng Hu, Juan L Gomez, Marta Sanchez-Soto, Ara M Abramyan, Sherry Lam, Matthew A Boehm, Christina Ruiz, Mitchell R Farrell, Andrea Moreno, Islam Mustafa Galal Faress, Niels Andersen, John Y Lin, Ruin Moaddel, Patrick J Morris, Lei Shi, David R Sibley, Stephen V Mahler, Sadegh Nabavi, Martin G Pomper, Antonello Bonci, Andrew G Horti, Barry J Richmond, Michael Michaelides
High-potency ligands for DREADD imaging and activation in rodents and monkeys. Nature communications 10 (1) (2019)
Rachel D Slack, Ara M Abramyan, Helen Tang, Sitaram Meena, Bruce A Davis, Alessandro Bonifazi, JoLynn B Giancola, Jeffrey R Deschamps, Sett Naing, Hideaki Yano, Satinder K Singh, Amy Hauck Newman, Lei Shi
A Novel Bromine-Containing Paroxetine Analogue Provides Mechanistic Clues for Binding Ambiguity at the Central Primary Binding Site of the Serotonin Transporter. ACS chemical neuroscience 10 (9) (2019)
Ravi Kumar Verma, Ara M Abramyan, Mayako Michino, R Benjamin Free, David R Sibley, Jonathan A Javitch, J Robert Lane, Lei Shi
The E2.65A mutation disrupts dynamic binding poses of SB269652 at the dopamine D2 and D3 receptors. PLoS computational biology 14 (1) (2018)
Ara M Abramyan, Matthias Quick, Catherine Xue, Jonathan A Javitch, Lei Shi
Exploring Substrate Binding in the Extracellular Vestibule of MhsT by Atomistic Simulations and Markov Models. Journal of chemical information and modeling 58 (6) (2018)
Ara M Abramyan, Sebastian Stolzenberg, Zheng Li, Claus J Loland, Frank Noé, Lei Shi
The Isomeric Preference of an Atypical Dopamine Transporter Inhibitor Contributes to Its Selection of the Transporter Conformation. ACS chemical neuroscience 8 (8) (2017)
Mayako Michino, Comfort A Boateng, Prashant Donthamsetti, Hideaki Yano, Oluyomi M Bakare, Alessandro Bonifazi, Michael P Ellenberger, Thomas M Keck, Vivek Kumar, Clare Zhu, Ravi Verma, Jeffrey R Deschamps, Jonathan A Javitch, Amy Hauck Newman, Lei Shi
Toward Understanding the Structural Basis of Partial Agonism at the Dopamine D3 Receptor. Journal of medicinal chemistry 60 (2) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Lei Shi