Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy
Cross, Jason B, Thompson, David C, Rai, Brajesh K, Baber, J. Christian, Fan, Kristi Yi, Hu, Yongbo, Humblet, Christine
Published in Journal of Chemical Information and Modeling (22.06.2009)
Published in Journal of Chemical Information and Modeling (22.06.2009)
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Design, synthesis, and structure-activity relationship of a bicyclic HBV capsid assembly modulator chemotype leading to the identification of clinical candidate AB-506
Cole, Andrew G., Kultgen, Steven G., Mani, Nagraj, Quintero, Jorge G., Yi Fan, Kristi, Ardzinski, Andrzej, Stever, Kim, Dorsey, Bruce D., Phelps, Janet R., Lee, Amy C.H., Thi, Emily P., Chiu, Tim, Tang, Sunny, Horanyi, Peter S., Mayclin, Stephen J., Harasym, Troy O., Sofia, Michael J.
Published in Bioorganic & medicinal chemistry letters (01.10.2023)
Published in Bioorganic & medicinal chemistry letters (01.10.2023)
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The Medicinal Chemistry of Liver X Receptor (LXR) Modulators
Tice, Colin M, Noto, Paul B, Fan, Kristi Yi, Zhuang, Linghang, Lala, Deepak S, Singh, Suresh B
Published in Journal of medicinal chemistry (11.09.2014)
Published in Journal of medicinal chemistry (11.09.2014)
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The identification of highly efficacious functionalised tetrahydrocyclopenta[]pyrroles as inhibitors of HBV viral replication through modulation of HBV capsid assembly
Cole, Andrew G, Kultgen, Steven G, Mani, Nagraj, Ardzinski, Andrzej, Fan, Kristi Yi, Thi, Emily P, Dorsey, Bruce D, Stever, Kim, Chiu, Tim, Tang, Sunny, Daly, Owen, Phelps, Janet R, Harasym, Troy, Olland, Andrea, Suto, Robert K, Sofia, Michael J
Published in MedChemComm (23.03.2022)
Published in MedChemComm (23.03.2022)
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Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors
Malamas, Michael S, Ni, Yike, Erdei, James, Stange, Hans, Schindler, Rudolf, Lankau, Hans-Joachim, Grunwald, Christian, Fan, Kristi Yi, Parris, Kevin, Langen, Barbara, Egerland, Ute, Hage, Thorsten, Marquis, Karen L, Grauer, Steve, Brennan, Julie, Navarra, Rachel, Graf, Radka, Harrison, Boyd L, Robichaud, Albert, Kronbach, Thomas, Pangalos, Menelas N, Hoefgen, Norbert, Brandon, Nicholas J
Published in Journal of medicinal chemistry (10.11.2011)
Published in Journal of medicinal chemistry (10.11.2011)
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Journal Article
Novel triazines as potent and selective phosphodiesterase 10A inhibitors
Malamas, Michael S., Stange, Hans, Schindler, Rudolf, Lankau, Hans-Joachim, Grunwald, Christian, Langen, Barbara, Egerland, Ute, Hage, Thorsten, Ni, Yike, Erdei, James, Fan, Kristi Yi, Parris, Kevin, Marquis, Karen L., Grauer, Steve, Brennan, Julie, Navarra, Rachel, Graf, Radka, Harrison, Boyd L., Robichaud, Albert, Kronbach, Thomas, Pangalos, Menelas N., Brandon, Nicholas J., Hoefgen, Norbert
Published in Bioorganic & medicinal chemistry letters (15.09.2012)
Published in Bioorganic & medicinal chemistry letters (15.09.2012)
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New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2′ region
Malamas, Michael S., Erdei, Jim, Gunawan, Iwan, Barnes, Keith, Hui, Yu, Johnson, Matthew, Robichaud, Albert, Zhou, Ping, Yan, Yinfa, Solvibile, William, Turner, Jim, Fan, Kristi Yi, Chopra, Rajiv, Bard, Jonathan, Pangalos, Menelas N.
Published in Bioorganic & medicinal chemistry letters (15.09.2011)
Published in Bioorganic & medicinal chemistry letters (15.09.2011)
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Ion channel screening plates: design, construction, and maintenance
Mayer, Scott C, Butera, John A, Diller, David J, Dunlop, John, Ellingboe, John, Fan, Kristi Yi, Kaftan, Edward, Mekonnen, Belew, Mobilio, Dominick, Paslay, Jeff, Tawa, Gregory, Vasilyev, Dmitry, Bowlby, Mark R
Published in Assay and drug development technologies (01.08.2010)
Published in Assay and drug development technologies (01.08.2010)
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Journal Article
Rational Design, Synthesis, and Structure–Activity Relationship of a Novel Isoquinolinone-Based Series of HBV Capsid Assembly Modulators Leading to the Identification of Clinical Candidate AB-836
Cole, Andrew G., Kultgen, Steven G., Mani, Nagraj, Fan, Kristi Yi, Ardzinski, Andrzej, Stever, Kim, Dorsey, Bruce D., Mesaros, Eugen F., Thi, Emily P., Graves, Ingrid, Tang, Sunny, Harasym, Troy O., Lee, Amy C. H., Olland, Andrea, Suto, Robert K., Sofia, Michael J.
Published in Journal of medicinal chemistry (26.09.2024)
Published in Journal of medicinal chemistry (26.09.2024)
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Rational Design of Macrocyclic Noncovalent Inhibitors of SARS-CoV-2 Mpro from a DNA-Encoded Chemical Library Screening Hit That Demonstrate Potent Inhibition against Pan-Coronavirus Homologues and Nirmatrelvir-Resistant Variants
Wang, Xu, Gotchev, Dimitar, Fan, Kristi Yi, Vega, Marvin M, Mani, Nagraj, McGovern-Gooch, Kayleigh, Cuconati, Andrea, Tercero, Breanna, Wang, Xiaohe, Carpino, Philip, Maskos, Klaus, Centrella, Paolo A, Schmitt, Andreas, Preuss, Franziska, Prasad, Archna, Chen, Chia-Yi, Clark, Matthew A, Guilinger, John P, Johnstone, Shawn, von König, Konstanze, Keefe, Anthony D, Liu, Jenny, Turcotte, Stéphane, Zhang, Ying, Konz Makino, Debora L, Lam, Angela M, Cole, Andrew G, Sofia, Michael J
Published in Journal of medicinal chemistry (25.10.2024)
Published in Journal of medicinal chemistry (25.10.2024)
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Synthesis and SAR of bis-statine based peptides as BACE 1 inhibitors
Hu, Baihua, Fan, Kristi Yi, Bridges, Kristie, Chopra, Rajiv, Lovering, Frank, Cole, Derek, Zhou, Ping, Ellingboe, John, Jin, Guixiang, Cowling, Rebecca, Bard, Jonathan
Published in Bioorganic & medicinal chemistry letters (05.07.2004)
Published in Bioorganic & medicinal chemistry letters (05.07.2004)
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Journal Article
Rational Design of Macrocyclic Noncovalent Inhibitors of SARS-CoV-2 M pro from a DNA-Encoded Chemical Library Screening Hit That Demonstrate Potent Inhibition against Pan-Coronavirus Homologues and Nirmatrelvir-Resistant Variants
Wang, Xu, Gotchev, Dimitar, Fan, Kristi Yi, Vega, Marvin M, Mani, Nagraj, McGovern-Gooch, Kayleigh, Cuconati, Andrea, Tercero, Breanna, Wang, Xiaohe, Carpino, Philip, Maskos, Klaus, Centrella, Paolo A, Schmitt, Andreas, Preuss, Franziska, Prasad, Archna, Chen, Chia-Yi, Clark, Matthew A, Guilinger, John P, Johnstone, Shawn, von König, Konstanze, Keefe, Anthony D, Liu, Jenny, Turcotte, Stéphane, Zhang, Ying, Konz Makino, Debora L, Lam, Angela M, Cole, Andrew G, Sofia, Michael J
Published in Journal of medicinal chemistry (25.10.2024)
Published in Journal of medicinal chemistry (25.10.2024)
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Journal Article
Conformationally Constrained Isoquinolinones as Orally Efficacious Hepatitis B Capsid Assembly Modulators
Mesaros, Eugen F., Cole, Andrew G., Kultgen, Steven G., Mani, Nagraj, Fan, Kristi Yi, Dugan, Benjamin J., Ardzinski, Andrzej, Stever, Kim, Steuer, Holly M. Micolochick, Graves, Ingrid, Tang, Sunny, Harasym, Troy O., Lam, Angela M., Thi, Emily P., Dorsey, Bruce D., Sofia, Michael J.
Published in ACS medicinal chemistry letters (12.09.2024)
Published in ACS medicinal chemistry letters (12.09.2024)
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Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) β Agonist
Zheng, Yajun, Zhuang, Linghang, Fan, Kristi Yi, Tice, Colin M, Zhao, Wei, Dong, Chengguo, Lotesta, Stephen D, Leftheris, Katerina, Lindblom, Peter R, Liu, Zhijie, Shimada, Jun, Noto, Paul B, Meng, Shi, Hardy, Andrew, Howard, Lamont, Krosky, Paula, Guo, Joan, Lipinski, Kerri, Kandpal, Geeta, Bukhtiyarov, Yuri, Zhao, Yi, Lala, Deepak, Van Orden, Rebecca, Zhou, Jing, Chen, Guozhou, Wu, Zhongren, McKeever, Brian M, McGeehan, Gerard M, Gregg, Richard E, Claremon, David A, Singh, Suresh B
Published in Journal of medicinal chemistry (14.04.2016)
Published in Journal of medicinal chemistry (14.04.2016)
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Discovery of C‑Linked Nucleoside Analogues with Antiviral Activity against SARS-CoV‑2
Mesaros, Eugen F., Dugan, Benjamin J., Gao, Min, Sheraz, Muhammad, McGovern-Gooch, Kayleigh, Xu, Fran, Fan, Kristi Yi, Nguyen, Duyan, Kultgen, Steven G., Lindstrom, Aaron, Stever, Kim, Tercero, Breanna, Binder, Randall J., Liu, Fei, Micolochick Steuer, Holly M., Mani, Nagraj, Harasym, Troy O., Thi, Emily P., Cuconati, Andrea, Dorsey, Bruce D., Cole, Andrew G., Lam, Angela M., Sofia, Michael J.
Published in ACS infectious diseases (10.05.2024)
Published in ACS infectious diseases (10.05.2024)
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Journal Article
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
Tice, Colin M., Noto, Paul B., Fan, Kristi Yi, Zhao, Wei, Lotesta, Stephen D., Dong, Chengguo, Marcus, Andrew P., Zheng, Ya-Jun, Chen, Guozhou, Wu, Zhongren, Van Orden, Rebecca, Zhou, Jing, Bukhtiyarov, Yuri, Zhao, Yi, Lipinski, Kerri, Howard, Lamont, Guo, Joan, Kandpal, Geeta, Meng, Shi, Hardy, Andrew, Krosky, Paula, Gregg, Richard E., Leftheris, Katerina, McKeever, Brian M., Singh, Suresh B., Lala, Deepak, McGeehan, Gerard M., Zhuang, Linghang, Claremon, David A.
Published in Bioorganic & medicinal chemistry letters (15.10.2016)
Published in Bioorganic & medicinal chemistry letters (15.10.2016)
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