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Structure-based drug design is key to antiviral development The available cocrystal structures of SARS-CoV-2 3CL pro with different types of inhibitors are critical for improving the potency and understanding the mode of action of inhibitors This approach is also important in fragment-based drug design by providing efficient strategies for
Structure-based design of antiviral drug candidates Fragment-based drug discovery is a strategy widely used in both academia and pharmaceutical companies to generate small-molecule protein inhibitors and drug candidates Among the approaches reported in the literature (growing linking and merging) the linking approach
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease SARS-CoV-2 is the etiological agent responsible for the global COVID-19 outbreak The main protease (Mpro) of SARS-CoV-2 is a key enzyme that plays a pivotal role in mediating viral replication and transcription
Jul 08 2020In this review we provide an overview of published scientific information about small molecular anti-SARS-CoV-2 drugs with an emphasis on repositioning antiviral drugs and the novel SARS-CoV-2 specific antiviral drugs for COVID-19
The protease 3CLpro is a potential drug target for coronavirus infections due to its essential role in processing the polyproteins that are translated from the viral RNA The X-ray structures of the unliganded SARS-CoV-2 protease 3CLpro and its complex with an α-ketoamide inhibitor provides a basis for design of α-ketoamide inhibitors [6] for
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease: Wenhao Dai Bing Zhang Xia-Ming Jiang Haixia Su Jian Li Yao Zhao 3 Xiong Xie Zhenming Jin Jingjing Peng Fengjiang Liu Chunpu Li You Li Fang Bai Haofeng Wang Xi Cheng Xiaobo Cen Shulei Hu Xiuna Yang Jiang Wang Xiang Liu Gengfu Xiao Hualiang Jiang Zihe Rao Lei-Ke Zhang
Structure-based design of antiviral drug candidates Fragment-based drug discovery is a strategy widely used in both academia and pharmaceutical companies to generate small-molecule protein inhibitors and drug candidates Among the approaches reported in the literature (growing linking and merging) the linking approach
May 13 2020A new coronavirus (CoV) caused a pandemic named COVID-19 which has become a global health care emergency in the present time The virus is referred to as SARS-CoV-2 (severe acute respiratory syndrome-coronavirus-2) and has a genome similar (∼82%) to that of the previously known SARS-CoV (SARS coronavirus) An attractive therapeutic target for CoVs is the main protease (Mpro)
The higher the quality of preclinical drug candidates the higher the likelihood of successful entry into clinical development Creative Biostructure provides a comprehensive set of structure-based services for the discovery of antiviral agents for treatment of coronavirus infection If you have research needs for optimization of antiviral
The higher the quality of preclinical drug candidates the higher the likelihood of successful entry into clinical development Creative Biostructure provides a comprehensive set of structure-based services for the discovery of antiviral agents for treatment of coronavirus infection If you have research needs for optimization of antiviral
May 27 2020Zhang L et al 2020 Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors Science doi: 10 1126/science abb3405 Dai W et al 2020 Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease Science doi: 10 1126 science abb4489 Gao Y et al 2020
Jul 31 2020Coronavirus disease (COVID-19) pandemic is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) COVID-19 is a global health emergency and no clinically approved vaccines or antiviral drugs available to date Intensive research on SARS-CoV-2 is urgently warranted to understand its pathogenesis and virulence mechanisms and to discover target-based antiviral
Mar 26 2020Structure-Based Design of Antivirals against Envelope Glycoprotein of Dengue Virus None of the current DENV antiviral candidates possess potency similar to the approved antiviral drugs which indicates that more efforts and resources must be invested before an effective DENV drug
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease Science 2020 eabb4489 DOI: 10 1126/science abb4489 Rafael Pinto Vieira Viviane Corra Santos Rafaela Salgado Ferreira Structure-based Approaches Targeting Parasite Cysteine Proteases
May 04 2020Structure-Based Design of Antiviral Drug Candidates Targets SARS-CoV-2 Main Protease A team of Chinese scientists recently developed two novel compounds that inhibit the SARS-CoV-2 main protease (Mpro) and one of them is a drug candidate for further clinical studies The research published online in Science on 22 April 2020 was conducted by
Apr 22 2020Structure-based design of antiviral drug candidates targets SARS-CoV-2 main protease April 22 2020 A team of Chinese scientists has recently developed two novel compounds that inhibit the SARS-CoV-2 main protease (M pro) and one of them is a good drug candidate for further clinical studies The research published online in Science on April 22 was conducted by Prof LIU
Structure-based drug design approach: Screening of ChEMBL antiviral compounds We have screened the ChEMBL database for antiviral drugs that have passed the Lipinski's rule of five (RO5) for drug-likeliness The structure-based drug design approach was taken into consideration using both the S protein and the M pro of SARS-CoV-2 The
Jul 04 2020Dai and coworkers had conducted the structure-based design of antiviral agents targeting this protease by parsing out the substrate-binding pocket of M pro In this regard further study targeting such a protease may give rise to certain antiviral drug candidates
Mar 25 2020Structure-Based Design Synthesis and Biological Evaluation of Peptidomimetic Aldehydes as a Novel Series of Antiviral Drug Candidates Targeting the SARS-CoV-2 Main Protease Wenhao Dai a d † Bing Zhang b † Xia-Ming Jiangc † Haixia Su a † Jian Li a Yao Zhao
Structure-based design of antiviral drug candidates targets SARS-CoV-2 main protease 04-22-2020 Comments Off on Structure-based design of antiviral drug candidates targets SARS-CoV-2 main protease A team of Chinese scientists has recently developed two novel compounds that inhibit the SARS-CoV-2 main protease (M pro ) and one of them is a good
Apr 22 2020Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease Wenhao Dai 1 2 * Bing Zhang 4 * Haixia Su 1 * Jian Li 1 5 Yao Zhao 3 Xiong Xie 1 Zhenming Jin 1 Fengjiang Liu 3 Chunpu Li 1 You Li 6 Fang Bai 3 Haofeng Wang 3 Xi Cheng 1 Xiaobo Cen 6 Shulei Hu 1 Xiuna Yang 3 Jiang Wang
Jul 04 2020Dai and coworkers had conducted the structure-based design of antiviral agents targeting this protease by parsing out the substrate-binding pocket of M pro In this regard further study targeting such a protease may give rise to certain antiviral drug candidates
The Company is currently leveraging its unique structure-based technologies to develop antiviral drugs for hepatitis C influenza and norovirus Influenza Program To date Cocrystal's lead influenza molecule in development CC-42344 has shown excellent antiviral activity against influenza A strains including avian pandemic strains and
Hong Liu Chinese Academy of Sciences Shanghai - Structure-based Design of Antiviral Drug Candidates Targeting the SARS-CoV-2 Main Protease Yogesh Gupta University of Texas San Antonio - Structural Basis of RNA Cap Modification by SARS-CoV-2 Coronavirus
This study shows that structure-based drug design is an effective strategy for designing specific antiviral leads against SARS-CoV-2 Preclinical research on compound 11a is now proceeding The team has decided to share its research data with scientists around the world to accelerate the development of anti-SARS-CoV-2 drugs
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease Wenhao Dai 1 2 * Bing Zhang 4 * Haixia Su 1 * Jian Li 1 5 Yao Zhao 3 Xiong Xie 1 Zhenming Jin 1 Fengjiang Liu 3 Chunpu Li 1 You Li 6 Fang Bai 3 Haofeng Wang 3 Xi Cheng 1 Xiaobo Cen 6 Shulei Hu 1 Xiuna Yang 3 Jiang Wang
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