🔗 Drug design

Articles (36)

• The search for a structural basis for therapeutic intervention against the SARS coronavirus

  👤 Bartlam, Mark 👤 Xue, Xiaoyu 👤 Rao, Zihe ⏰ 2008 📚 Acta Crystallographica Section A: Foundations of Crystallography

• Potential broad spectrum inhibitors of the Coronavirus 3CLpro: A virtual screening and structure-based drug design study

  👤 Berry, Michael 👤 Fielding, Burtram C. 👤 Gamieldien, Junaid ⏰ 2015 📚 Viruses

• Induction of IL-8 release in lung cells via activator protein-1 by recombinant baculovirus displaying severe acute respiratory syndrome-coronavirus spike proteins: Identification of two functional regions

  👤 Chang, Ya Jen 👤 Liu, Catherine Y.Y. 👤 Chiang, Bor Luen 👤 Chao, Yu Chan 👤 Chen, Ching Chow ⏰ 2004 📚 Journal of Immunology

• Macro domain from middle east respiratory syndrome coronavirus (MERS-CoV) is an efficient ADP-ribose binding module: Crystal structure and biochemical studies

  👤 Cho, Chao Cheng 👤 Lin, Meng Hsuan 👤 Chuang, Chien Ying 👤 Hsu, Chun Hua ⏰ 2016 📚 Journal of Biological Chemistry

• X-ray structure and enzymatic activity profile of a core papain-like protease of MERS coronavirus with utility for structure-based drug design

  👤 Clasman, Jozlyn R. 👤 Bez-Santos, Yahira M. 👤 Mettelman, Robert C. 👤 O'Brien, Amornrat 👤 Baker, Susan C. 👤 Mesecar, Andrew D. ⏰ 2017 📚 Scientific Reports

• The interaction between severe acute respiratory syndrome coronavirus 3C-like proteinase and a dimeric inhibitor by capillary electrophoresis

  👤 Ding, Li 👤 Zhang, Xin Xiang 👤 Wei, Ping 👤 Fan, Keqiang 👤 Lai, Luhua ⏰ 2005 📚 Analytical Biochemistry

• Inhibitor design for SARS coronavirus main protease based on "distorted key theory"

  👤 Du, Qi Shi 👤 Sun, Hao 👤 Chou, Kuo Chen ⏰ 2007 📚 Medicinal Chemistry

• The substrate specificity of SARS coronavirus 3C-like proteinase

  👤 Fan, Keqiang 👤 Ma, Liang 👤 Han, Xiaofeng 👤 Liang, Huanhuan 👤 Wei, Ping 👤 Liu, Ying 👤 Lai, Luhua ⏰ 2005 📚 Biochemical and Biophysical Research Communications

• Biosynthesis, Purification, and Substrate Specificity of Severe Acute Respiratory Syndrome Coronavirus 3C-like Proteinase

  👤 Fan, Keqiang 👤 Wei, Ping 👤 Feng, Qian 👤 Chen, Sidi 👤 Huang, Changkang 👤 Ma, Liang 👤 Lai, Bing 👤 Pei, Jianfeng 👤 Liu, Ying 👤 Chen, Jianguo 👤 Lai, Luhua ⏰ 2004 📚 Journal of Biological Chemistry

• Structure of the fusion core and inhibition of fusion by a heptad repeat peptide derived from the S protein of middle east respiratory syndrome coronavirus

  👤 Gao, Jing 👤 Lu, Guangwen 👤 Qi, Jianxun 👤 Li, Yan 👤 Wu, Ying 👤 Deng, Yao 👤 Geng, Heyuan 👤 Li, Hongbin 👤 Wang, Qihui 👤 Xiao, Haixia 👤 Tan, Wenjie 👤 Yan, Jinghua 👤 Gao, George F. ⏰ 2013 📚 Journal of Virology

• Structure-based design, synthesis, and biological evaluation of a series of novel and reversible inhibitors for the severe acute respiratory syndrome - Coronavirus papain-like protease

  👤 Ghosh, Arun K. 👤 Takayama, Jun 👤 Aubin, Yoann 👤 Ratia, Kiira 👤 Chaudhuri, Rima 👤 Baez, Yahira 👤 Sleeman, Katrina 👤 Coughlin, Melissa 👤 Nichols, Daniel B. 👤 Mulhearn, Debbie C. 👤 Prabhakar, Bellur S. 👤 Baker, Susan C. 👤 Johnson, Michael E. 👤 Mesecar, Andrew D. ⏰ 2009 📚 Journal of Medicinal Chemistry

• 3C-like Proteinase from SARS Coronavirus Catalyzes Substrate Hydrolysis by a General Base Mechanism

  👤 Huang, Changkang 👤 Wei, Ping 👤 Fan, Keqiang 👤 Liu, Ying 👤 Lai, Luhua ⏰ 2004 📚 Biochemistry

• Natural products and their derivatives against coronavirus: A review of the non-clinical and pre-clinical data.

  👤 Islam, Muhammad Torequl 👤 Sarkar, Chandan 👤 El-Kersh, Dina M 👤 Jamaddar, Sarmin 👤 Uddin, Shaikh Jamal 👤 Shilpi, Jamil A 👤 Mubarak, Mohammad S ⏰ 2020 📚 Phytother Res

• Structure of M(pro) from COVID-19 virus and discovery of its inhibitors.

  👤 Jin, Zhenming 👤 Du, Xiaoyu 👤 Xu, Yechun 👤 Deng, Yongqiang 👤 Liu, Meiqin 👤 Zhao, Yao 👤 Zhang, Bing 👤 Li, Xiaofeng 👤 Zhang, Leike 👤 Peng, Chao 👤 Duan, Yinkai 👤 Yu, Jing 👤 Wang, Lin 👤 Yang, Kailin 👤 Liu, Fengjiang 👤 Jiang, Rendi 👤 Yang, Xinglou 👤 You, Tian 👤 Liu, Xiaoce 👤 Yang, Xiuna 👤 Bai, Fang 👤 Liu, Hong 👤 Liu, Xiang 👤 Guddat, Luke W 👤 Xu, Wenqing 👤 Xiao, Gengfu 👤 Qin, Chengfeng 👤 Shi, Zhengli 👤 Jiang, Hualiang 👤 Rao, Zihe 👤 Yang, Haitao ⏰ 2020 📚 Nature

• Identification of Chymotrypsin-like Protease Inhibitors of SARS-CoV-2 Via Integrated Computational Approach.

  👤 Khan, Salman Ali 👤 Zia, Komal 👤 Ashraf, Sajda 👤 Uddin, Reaz 👤 Ul-Haq, Zaheer ⏰ 2020 📚 J Biomol Struct Dyn

• Maturation mechanism of severe acute respiratory syndrome (SARS) coronavirus 3C-like proteinase

  👤 Li, Chunmei 👤 Qi, Yifei 👤 Teng, Xin 👤 Yang, Zongchang 👤 Wei, Ping 👤 Zhang, Changsheng 👤 Tan, Lei 👤 Zhou, Lu 👤 Liu, Ying 👤 Lai, Luhua ⏰ 2010 📚 Journal of Biological Chemistry

• Characterization and inhibition of SARS-coronavirus main protease

  👤 Liang, Po Huang ⏰ 2006 📚 Current Topics in Medicinal Chemistry

• Structure-based drug design and structural biology study of novel nonpeptide inhibitors of severe acute respiratory syndrome coronavirus main protease

  👤 Lu, I. Lin 👤 Mahindroo, Neeraj 👤 Liang, Po Huang 👤 Peng, Yi Hui 👤 Kuo, Chih Jung 👤 Tsai, Keng Chang 👤 Hsieh, Hsing Pang 👤 Chao, Yu Sheng 👤 Wu, Su Ying ⏰ 2006 📚 Journal of Medicinal Chemistry

• Synthetic peptides derived from SARS coronavirus S protein with diagnostic and therapeutic potential

  👤 Lu, Wei 👤 Wu, Xiao Dong 👤 Shi, Mu De 👤 Yang, Rui Fu 👤 He, You Yu 👤 Bian, Chao 👤 Shi, Tie Liu 👤 Yang, Sheng 👤 Zhu, Xue Liang 👤 Jiang, Wei Hong 👤 Li, Yi Xue 👤 Yan, Lin Chen 👤 Ji, Yong Yong 👤 Lin, Ying 👤 Lin, Guo Mei 👤 Tian, Lin 👤 Wang, Jin 👤 Wang, Hong Xia 👤 Xie, You Hua 👤 Pei, Gang 👤 Wu, Jia Rui 👤 Sun, Bing ⏰ 2005 📚 FEBS Letters

• Autoprocessing mechanism of severe acute respiratory syndrome coronavirus 3C-like protease (SARS-CoV 3CLpro) from its polyproteins

  👤 Muramatsu, Tomonari 👤 Kim, Yong Tae 👤 Nishii, Wataru 👤 Terada, Takaho 👤 Shirouzu, Mikako 👤 Yokoyama, Shigeyuki ⏰ 2013 📚 FEBS Journal

• Macrolide treatment for COVID-19: Will this be the way forward?

  👤 Ohe, Masashi 👤 Shida, Haruki 👤 Jodo, Satoshi 👤 Kusunoki, Yoshihiro 👤 Seki, Masahide 👤 Furuya, Ken 👤 Goudarzi, Houman ⏰ 2020 📚 Biosci Trends

• Structure and inhibition of the SARS coronavirus envelope protein ion channel

  👤 Pervushin, Konstantin 👤 Tan, Edward 👤 Parthasarathy, Krupakar 👤 Lin, Xin 👤 Jiang, Feng Li 👤 Yu, Dejie 👤 Vararattanavech, Ardcharaporn 👤 Tuck, Wah Soong 👤 Ding, Xiang Liu 👤 Torres, Jaume ⏰ 2009 📚 PLoS Pathogens

• Drug targets for corona virus: A systematic review.

  👤 Prajapat, Manisha 👤 Sarma, Phulen 👤 Shekhar, Nishant 👤 Avti, Pramod 👤 Sinha, Shweta 👤 Kaur, Hardeep 👤 Kumar, Subodh 👤 Bhattacharyya, Anusuya 👤 Kumar, Harish 👤 Bansal, Seema 👤 Medhi, Bikash ⏰ 2020 📚 Indian J Pharmacol

• A novel auto-cleavage assay for studying mutational effects on the active site of severe acute respiratory syndrome coronavirus 3C-like protease

  👤 Shan, Yu Fei 👤 Li, Shou Feng 👤 Xu, Gen Jun ⏰ 2004 📚 Biochemical and Biophysical Research Communications

• Evaluation of homology modeling of the severe acute respiratory syndrome (SARS) coronavirus main protease for structure based drug design

  👤 Takeda-Shitaka, Mayuko 👤 Nojima, Hiroyuki 👤 Takaya, Daisuke 👤 Kanou, Kazuhiko 👤 Iwadate, Mitsuo 👤 Umeyama, Hideaki ⏰ 2004 📚 Chemical and Pharmaceutical Bulletin

• QM/QM studies for Michael reaction in coronavirus main protease (3CLPro)

  👤 Taranto, Alex G. 👤 Carvalho, Paulo 👤 Avery, Mitchell A. ⏰ 2008 📚 Journal of Molecular Graphics and Modelling

• The RNA polymerase activity of SARS-coronavirus nsp12 is primer dependent

  👤 te Velthuis, Aartjan J.W. 👤 Arnold, Jamie J. 👤 Cameron, Craig E. 👤 van den Worm, Sjoerd H.E. 👤 Snijder, Eric J. ⏰ 2009 📚 Nucleic Acids Research

• Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design

  👤 Wang, Fenghua 👤 Chen, Cheng 👤 Tan, Wenjie 👤 Yang, Kailin 👤 Yang, Haitao ⏰ 2016 📚 Scientific Reports

• Crystallization and preliminary crystallographic study of human coronavirus NL63 main protease in complex with an inhibitor

  👤 Wang, Fenghua 👤 Tan, Yusheng 👤 Li, Huiyan 👤 Chen, Xia 👤 Wang, Jinshan 👤 Li, Shuang 👤 Fu, Sheng 👤 Zhao, Qi 👤 Chen, Cheng 👤 Su, Dan 👤 Yang, Haitao ⏰ 2014 📚 Acta Crystallographica Section F:Structural Biology Communications

• Recent progress in the discovery of inhibitors targeting coronavirus proteases

  👤 Wang, Haofeng 👤 Xue, Song 👤 Yang, Haitao 👤 Chen, Cheng ⏰ 2016 📚 Virologica Sinica

• The N-terminal octapeptide acts as a dimerization inhibitor of SARS coronavirus 3C-like proteinase

  👤 Wei, Ping 👤 Fan, Keqiang 👤 Chen, Hao 👤 Ma, Liang 👤 Huang, Changkang 👤 Tan, Lei 👤 Xi, Dong 👤 Li, Chunmei 👤 Liu, Ying 👤 Cao, Aoneng 👤 Lai, Luhua ⏰ 2006 📚 Biochemical and Biophysical Research Communications

• Crystallization and preliminary crystallographic analysis of the heptad-repeat complex of SARS coronavirus spike protein

  👤 Xu, Yanhui 👤 Su, Nan 👤 Qin, Lan 👤 Bai, Zhihong 👤 Gao, George F. 👤 Rao, Zihe ⏰ 2004 📚 Acta Crystallographica Section D: Biological Crystallography

• Structures of two coronavirus main proteases: Implications for substrate binding and antiviral drug design

  👤 Xue, Xiaoyu 👤 Yu, Hongwei 👤 Yang, Haitao 👤 Xue, Fei 👤 Wu, Zhixin 👤 Shen, Wei 👤 Li, Jun 👤 Zhou, Zhe 👤 Ding, Yi 👤 Zhao, Qi 👤 Zhang, Xuejun C. 👤 Liao, Ming 👤 Bartlam, Mark 👤 Rao, Zihe ⏰ 2008 📚 Journal of Virology

• Drug design targeting the main protease, the Achilles' heel of coronaviruses

  👤 Yang, Haitao 👤 Bartlam, Mark 👤 Rao, Zihe ⏰ 2006 📚 Current Pharmaceutical Design

• Structure of coronavirus hemagglutinin-esterase offers insight into corona and influenza virus evolution

  👤 Zeng, Qinghong 👤 Langereis, Martijn A. 👤 Van Vliet, Arno L.W. 👤 Huizinga, Eric G. 👤 De Groot, Raoul J. ⏰ 2008 📚 Proceedings of the National Academy of Sciences of the United States of America

• Structure of the main protease from a global infectious human coronavirus, HCoV-HKU1

  👤 Zhao, Qi 👤 Li, Shuang 👤 Xue, Fei 👤 Zou, Yilong 👤 Chen, Cheng 👤 Bartlam, Mark 👤 Rao, Zihe ⏰ 2008 📚 Journal of Virology