Workflows and performances in the ranking prediction of 2016 D3R Grand Challenge 2: lessons learned from a collaborative effort
Gao, Ying-Duo, Hu, Yuan, Crespo, Alejandro, Wang, Deping, Armacost, Kira A., Fells, James I., Fradera, Xavier, Wang, Hongwu, Wang, Huijun, Sherborne, Brad, Verras, Andreas, Peng, Zhengwei
Published in Journal of computer-aided molecular design (2018)
Published in Journal of computer-aided molecular design (2018)
Get full text
Journal Article
Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016
Fradera, Xavier, Verras, Andreas, Hu, Yuan, Wang, Deping, Wang, Hongwu, Fells, James I., Armacost, Kira A., Crespo, Alejandro, Sherborne, Brad, Wang, Huijun, Peng, Zhengwei, Gao, Ying-Duo
Published in Journal of computer-aided molecular design (2018)
Published in Journal of computer-aided molecular design (2018)
Get full text
Journal Article
A comparative study of the binding properties, dipeptidyl peptidase‐4 (DPP‐4) inhibitory activity and glucose‐lowering efficacy of the DPP‐4 inhibitors alogliptin, linagliptin, saxagliptin, sitagliptin and vildagliptin in mice
Berger, Joel P., SinhaRoy, Ranabir, Pocai, Alessandro, Kelly, Theresa M., Scapin, Giovanna, Gao, Ying‐Duo, Pryor, Kelly Ann D., Wu, Joseph K., Eiermann, George J., Xu, Shiyao S., Zhang, Xiaoping, Tatosian, Daniel A., Weber, Ann E., Thornberry, Nancy A., Carr, Richard D.
Published in Endocrinology, diabetes & metabolism (01.01.2018)
Published in Endocrinology, diabetes & metabolism (01.01.2018)
Get full text
Journal Article
Novel tetrahydropyran analogs as dipeptidyl peptidase IV inhibitors: Profile of clinical candidate (2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amine (23)
Biftu, Tesfaye, Qian, Xiaoxia, Chen, Ping, Feng, Dennis, Scapin, Giovanna, Gao, Ying-Duo, Cox, Jason, Sinha Roy, Ranabir, Eiermann, George, He, Huabing, Lyons, Kathy, Salituro, Gino, Patel, Sangita, Petrov, Alexander, Xu, Feng, Xu, Shiyao Sherrie, Zhang, Bei, Caldwell, Charles, Wu, Joseph K., Weber, Ann E.
Published in Bioorganic & medicinal chemistry letters (01.10.2013)
Published in Bioorganic & medicinal chemistry letters (01.10.2013)
Get full text
Journal Article
Structure–activity-relationship of amide and sulfonamide analogs of omarigliptin
Chen, Ping, Feng, Dennis, Qian, Xiaoxia, Apgar, James, Wilkening, Robert, Kuethe, Jeffrey T., Gao, Ying-Duo, Scapin, Giovanna, Cox, Jason, Doss, George, Eiermann, George, He, Huaibing, Li, Xiaohua, Lyons, Kathryn A., Metzger, Joseph, Petrov, Aleksandr, Wu, Joseph K., Xu, Shiyao, Weber, Ann E., Yan, Youwei, Roy, Ranabir Sinha, Biftu, Tesfaye
Published in Bioorganic & medicinal chemistry letters (15.12.2015)
Published in Bioorganic & medicinal chemistry letters (15.12.2015)
Get full text
Journal Article
Two Tarantula Peptides Inhibit Activation of Multiple Sodium Channels
Middleton, Richard E, Warren, Vivien A, Kraus, Richard L, Hwang, Jeremy C, Liu, Chou J, Dai, Ge, Brochu, Richard M, Kohler, Martin G, Gao, Ying-Duo, Garsky, Victor M, Bogusky, Michael J, Mehl, John T, Cohen, Charles J, Smith, McHardy M
Published in Biochemistry (Easton) (17.12.2002)
Published in Biochemistry (Easton) (17.12.2002)
Get full text
Journal Article
Functional Mapping of the Transient Receptor Potential Vanilloid 1 Intracellular Binding Site
Johnson, Daniel M, Garrett, Elizabeth M, Rutter, Richard, Bonnert, Timothy P, Gao, Ying-Duo, Middleton, Richard E, Sutton, Kathy G
Published in Molecular pharmacology (01.09.2006)
Published in Molecular pharmacology (01.09.2006)
Get full text
Journal Article
Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery
Yan, Xin Cindy, Sanders, John M, Gao, Ying-Duo, Tudor, Matthew, Haidle, Andrew M, Klein, Daniel J, Converso, Antonella, Lesburg, Charles A, Zang, Yi, Wood, Harold B
Published in Journal of chemical information and modeling (28.09.2020)
Published in Journal of chemical information and modeling (28.09.2020)
Get full text
Journal Article
Omarigliptin (MK-3102): A Novel Long-Acting DPP‑4 Inhibitor for Once-Weekly Treatment of Type 2 Diabetes
Biftu, Tesfaye, Sinha-Roy, Ranabir, Chen, Ping, Qian, Xiaoxia, Feng, Dennis, Kuethe, Jeffrey T, Scapin, Giovanna, Gao, Ying Duo, Yan, Youwei, Krueger, Davida, Bak, Annette, Eiermann, George, He, Jiafang, Cox, Jason, Hicks, Jacqueline, Lyons, Kathy, He, Huaibing, Salituro, Gino, Tong, Sharon, Patel, Sangita, Doss, George, Petrov, Aleksandr, Wu, Joseph, Xu, Shiyao Sherrie, Sewall, Charles, Zhang, Xiaoping, Zhang, Bei, Thornberry, Nancy A, Weber, Ann E
Published in Journal of medicinal chemistry (24.04.2014)
Published in Journal of medicinal chemistry (24.04.2014)
Get full text
Journal Article
Potassium channels: from scorpion venoms to high-resolution structure
Get full text
Book Review
Journal Article
Discovery of isoxazole voltage gated sodium channel blockers for treatment of chronic pain
Shao, Pengcheng P., Ye, Feng, Weber, Ann E., Li, Xiaohua, Lyons, Kathryn A., Parsons, William H., Garcia, Maria L., Priest, Birgit T., Smith, McHardy M., Felix, John P., Williams, Brande S., Kaczorowski, Gregory J., McGowan, Erin, Abbadie, Catherine, Martin, William J., McMasters, Daniel R., Gao, Ying-Duo
Published in Bioorganic & medicinal chemistry letters (15.09.2009)
Published in Bioorganic & medicinal chemistry letters (15.09.2009)
Get full text
Journal Article
Ligand Activation Domain of Human Orphan Growth Hormone (GH) Secretagogue Receptor (GHS-R) Conserved from Pufferfish to Humans
Palyha, Oksana C, Feighner, Scott D, Tan, Carina P, McKee, Karen Kulju, Hreniuk, Donna L, Gao, Ying-Duo, Schleim, Klaus D, Yang, Lihu, Morriello, Gregori J, Nargund, Ravi, Patchett, Arthur A, Howard, Andrew D, Smith, Roy G
Published in Molecular endocrinology (Baltimore, Md.) (01.01.2000)
Published in Molecular endocrinology (Baltimore, Md.) (01.01.2000)
Get full text
Journal Article
Drug-like Density: A Method of Quantifying the “Bindability” of a Protein Target Based on a Very Large Set of Pockets and Drug-like Ligands from the Protein Data Bank
Sheridan, Robert P, Maiorov, Vladimir N, Holloway, M. Katharine, Cornell, Wendy D, Gao, Ying-Duo
Published in Journal of chemical information and modeling (22.11.2010)
Published in Journal of chemical information and modeling (22.11.2010)
Get full text
Journal Article
Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes
Liu, Jian, Guiadeen, Deodial, Krikorian, Arto, Gao, Xiaolei, Wang, James, Babu Boga, Sobhana, Alhassan, Abdul-Basit, Yu, Wensheng, Selyutin, Oleg, Yu, Younong, Anand, Rajan, Xu, Jiayi, Kelly, Joseph, Duffy, Joseph L., Liu, Shilan, Yang, Chundao, Wu, Hao, Cai, Jiaqiang, Bennett, Chad, Maloney, Kevin M., Tyagarajan, Sriram, Gao, Ying-Duo, Fischmann, Thierry O., Presland, Jeremy, Mansueto, My, Xu, Zangwei, Leccese, Erica, Zhang-Hoover, Jie, Knemeyer, Ian, Garlisi, Charles G., Stivers, Peter, Brandish, Philip E., Hicks, Alexandra, Kim, Ronald, Kozlowski, Joseph A.
Published in Bioorganic & medicinal chemistry letters (01.09.2020)
Published in Bioorganic & medicinal chemistry letters (01.09.2020)
Get full text
Journal Article
Mimicry of Erythropoietin by a Nonpeptide Molecule
Qureshi, Sajjad A., Kim, Ronald M., Konteatis, Zenon, Biazzo, Dawn E., Motamedi, Haideh, Rodrigues, Robert, Boice, Judith A., Calaycay, Jimmy R., Bednarek, Maria A., Griffin, Patrick, Gao, Ying-Duo, Chapman, Kevin, Mark, David F.
Published in Proceedings of the National Academy of Sciences - PNAS (12.10.1999)
Published in Proceedings of the National Academy of Sciences - PNAS (12.10.1999)
Get full text
Journal Article
Discovery of novel BTK inhibitors with carboxylic acids
Gao, Xiaolei, Wang, James, Liu, Jian, Guiadeen, Deodial, Krikorian, Arto, Boga, Sobhana Babu, Alhassan, Abdul-Basit, Selyutin, Oleg, Yu, Wensheng, Yu, Younong, Anand, Rajan, Liu, Shilan, Yang, Chundao, Wu, Hao, Cai, Jiaqiang, Cooper, Alan, Zhu, Hugh, Maloney, Kevin, Gao, Ying-Duo, Fischmann, Thierry O., Presland, Jeremy, Mansueto, My, Xu, Zangwei, Leccese, Erica, Zhang-Hoover, Jie, Knemeyer, Ian, Garlisi, Charles G., Bays, Nathan, Stivers, Peter, Brandish, Philip E., Hicks, Alexandra, Kim, Ronald, Kozlowski, Joeseph A.
Published in Bioorganic & medicinal chemistry letters (15.03.2017)
Published in Bioorganic & medicinal chemistry letters (15.03.2017)
Get full text
Journal Article
Discovery of Novel Tricyclic Heterocycles as Potent and Selective DPP‑4 Inhibitors for the Treatment of Type 2 Diabetes
Wu, Wen-Lian, Hao, Jinsong, Domalski, Martin, Burnett, Duane A, Pissarnitski, Dmitri, Zhao, Zhiqiang, Stamford, Andrew, Scapin, Giovanna, Gao, Ying-Duo, Soriano, Aileen, Kelly, Terri M, Yao, Zuliang, Powles, Mary Ann, Chen, Shiying, Mei, Hong, Hwa, Joyce
Published in ACS medicinal chemistry letters (12.05.2016)
Published in ACS medicinal chemistry letters (12.05.2016)
Get full text
Journal Article
The discovery of novel 5,6,5- and 5,5,6-tricyclic pyrrolidines as potent and selective DPP-4 inhibitors
Cox, Jason M., Chu, Hong D., Kuethe, Jeffrey T., Gao, Ying-Duo, Scapin, Giovanna, Eiermann, George, He, Huaibing, Li, Xiaohua, Lyons, Kathryn A., Metzger, Joseph, Petrov, Aleksandr, Wu, Joseph K., Xu, Shiyao, Sinha-Roy, Ranabir, Weber, Ann E., Biftu, Tesfaye
Published in Bioorganic & medicinal chemistry letters (01.06.2016)
Published in Bioorganic & medicinal chemistry letters (01.06.2016)
Get full text
Journal Article