Zobrazeno 1 - 10
of 38
pro vyhledávání: '"Martha S, Head"'
Autor:
Brian C. Sanders, Suman Pokhrel, Audrey D. Labbe, Irimpan I. Mathews, Connor J. Cooper, Russell B. Davidson, Gwyndalyn Phillips, Kevin L. Weiss, Qiu Zhang, Hugh O’Neill, Manat Kaur, Jurgen G. Schmidt, Walter Reichard, Surekha Surendranathan, Jyothi Parvathareddy, Lexi Phillips, Christopher Rainville, David E. Sterner, Desigan Kumaran, Babak Andi, Gyorgy Babnigg, Nigel W. Moriarty, Paul D. Adams, Andrzej Joachimiak, Brett L. Hurst, Suresh Kumar, Tauseef R. Butt, Colleen B. Jonsson, Lori Ferrins, Soichi Wakatsuki, Stephanie Galanie, Martha S. Head, Jerry M. Parks
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-17 (2023)
The development of direct-acting antivirals to combat COVID-19 remains an important goal. Here the authors design covalent inhibitors that target the papain-like protease from SARS-CoV-2. The most promising inhibitor blocks viral replication in mamma
Externí odkaz:
https://doaj.org/article/fd261a622e08487782f550c5d0f5bc31
Autor:
Babak Andi, Desigan Kumaran, Dale F. Kreitler, Alexei S. Soares, Jantana Keereetaweep, Jean Jakoncic, Edwin O. Lazo, Wuxian Shi, Martin R. Fuchs, Robert M. Sweet, John Shanklin, Paul D. Adams, Jurgen G. Schmidt, Martha S. Head, Sean McSweeney
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-12 (2022)
Abstract Severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2), which causes coronavirus disease 2019 (COVID-19), threatens global public health. The world needs rapid development of new antivirals and vaccines to control the current pandemic
Externí odkaz:
https://doaj.org/article/a7fbbbf82b5248fbabc42df1cf405c88
Autor:
Rajendra P. Joshi, Katherine J. Schultz, Jesse William Wilson, Agustin Kruel, Rohith Anand Varikoti, Chathuri J. Kombala, Daniel W. Kneller, Stephanie Galanie, Gwyndalyn Phillips, Qiu Zhang, Leighton Coates, Jyothi Parvathareddy, Surekha Surendranathan, Ying Kong, Austin Clyde, Arvind Ramanathan, Colleen B. Jonsson, Kristoffer R. Brandvold, Mowei Zhou, Martha S. Head, Andrey Kovalevsky, Neeraj Kumar
Publikováno v:
Journal of Chemical Information and Modeling. 63:1438-1453
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c8b5e736d5985806e92c7e6b4e3d02b5
https://doi.org/10.1021/acs.jcim.2c01377
https://doi.org/10.1021/acs.jcim.2c01377
Autor:
Kevin S. McLoughlin, Da Shi, Jeffrey E. Mast, John Bucci, John P. Williams, W. Derek Jones, Derrick Miyao, Luke Nam, Heather L. Osswald, Lev Zegelman, Jonathan Allen, Brian J. Bennion, Amanda K. Paulson, Ruben Abagyan, Martha S. Head, James M. Brase
Generative molecular design (GMD) is an increasingly popular strategy for drug discovery, using machine learning models to propose, evaluate and optimize chemical structures against a set of target design criteria. We present the ATOM-GMD platform, a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::45cdcb6fae94d7e54a5b854991c78868
https://doi.org/10.1101/2023.02.14.528391
https://doi.org/10.1101/2023.02.14.528391
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor
Autor:
Andre Merzky, Ryan Chard, Jurgen G. Schmidt, Zhuozhao Li, Srinivas C. Chennubhotla, Heng Ma, Li Tan, Mikhail Titov, Vlimos Kertesz, Austin Clyde, Daniel W. Kneller, Hyungro Lee, Alexander Brace, Rick Stevens, Darin Hauner, Leighton Coates, Shantenu Jha, Kyle Chard, Andrey Kovalevsky, Arvind Ramanathan, Thomas Brettin, Neeraj Kumar, Ben Blaiszik, Stephanie Galanie, Hubertus J. J. van Dam, Matteo Turilli, Martha S Head, Yadu Babuji, Ian Foster, Anda Trifan
Publikováno v:
Journal of Chemical Information and Modeling
Despite the recent availability of vaccines against the acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the search for inhibitory therapeutic agents has assumed importance especially in the context of emerging new viral variants. In this paper
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::06facb652b5fb512b76a78365fedc3c8
https://doi.org/10.1021/acs.jcim.1c00851
https://doi.org/10.1021/acs.jcim.1c00851
Autor:
Brian C. Sanders, Suman Pokhrel, Audrey D. Labbe, Irimpan I. Mathews, Connor J. Cooper, Russell B. Davidson, Gwyndalyn Phillips, Kevin L. Weiss, Qiu Zhang, Hugh O’Neill, Manat Kaur, Jurgen G. Schmidt, Walter Reichard, Surekha Surendranathan, Jyothi Parvathareddy, Lexi Phillips, Christopher Rainville, David E. Sterner, Desigan Kumaran, Babak Andi, Gyorgy Babnigg, Nigel W. Moriarty, Paul D. Adams, Andrzej Joachimiak, Brett L. Hurst, Suresh Kumar, Tauseef R. Butt, Colleen B. Jonsson, Lori Ferrins, Soichi Wakatsuki, Stephanie Galanie, Martha S. Head, Jerry M. Parks
Publikováno v:
Nature communications, vol 14, iss 1
Direct-acting antivirals are needed to combat coronavirus disease 2019 (COVID-19), which is caused by severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2). The papain-like protease (PLpro) domain of Nsp3 from SARS-CoV-2 is essential for viral
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::24bd8877103d685e79e5f39fdc0339f5
https://doi.org/10.21203/rs.3.rs-1840200/v1
https://doi.org/10.21203/rs.3.rs-1840200/v1
Autor:
Babak Andi, Desigan Kumaran, Dale F. Kreitler, Alexei S. Soares, Jantana Keereetaweep, Jean Jakoncic, Edwin O. Lazo, Wuxian Shi, Martin R. Fuchs, Robert M. Sweet, John Shanklin, Paul D. Adams, Jurgen G. Schmidt, Martha S. Head, Sean McSweeney
Publikováno v:
Scientific reports, vol 12, iss 1
Severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2), which causes coronavirus disease 2019 (COVID-19), threatens global public health. The world needs rapid development of new antivirals and vaccines to control the current pandemic and to co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c048ddf894a3d4811ead35434610dc65
https://pubmed.ncbi.nlm.nih.gov/35842458
https://pubmed.ncbi.nlm.nih.gov/35842458
Autor:
Gwyndalyn Phillips, John M. Louis, Colleen B. Jonsson, Stephanie Galanie, Martha S Head, Audrey Labbe, Arvind Ramanathan, Kevin L Weiss, Mark A Arnould, Heng Ma, Qiu Zhang, Andrey Kovalevsky, Hui Li, Peter V. Bonnesen, Daniel W. Kneller, Austin Clyde, Leighton Coates
Publikováno v:
Journal of Medicinal Chemistry
Creating small-molecule antivirals specific for severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) proteins is crucial to battle coronavirus disease 2019 (COVID-19). SARS-CoV-2 main protease (Mpro) is an established drug target for the desi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bbbc6f1df6af2813c4c9bce07975c0bd
http://europepmc.org/articles/PMC8565456
http://europepmc.org/articles/PMC8565456
Autor:
Irimpan I. Mathews, Jerry M. Parks, Walter Reichard, Surekha Surendranathan, Gyorgy Babnigg, Desigan Kumaran, Lori Ferrins, Hugh O'Neill, Stephanie Galanie, Russell B. Davidson, Paul D. Adams, Suman Pohkrel, Soichi Wakatsuki, Nigel W. Moriarty, Kevin L. Weiss, Brian C. Sanders, Gwyndalyn Phillips, Audrey Labbe, Jurgen G. Schmidt, Babak Andi, Martha S Head, Andrzej Joachimiak, Qiu Zhang, Manat Kaur, Connor J. Cooper, Colleen B. Jonsson
Publikováno v:
Research Square
article-version (status) pre
article-version (number) 1
article-version (status) pre
article-version (number) 1
Direct-acting antivirals for the treatment of COVID-19, which is caused by severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2), are needed to complement vaccination efforts. The papain-like protease (PLpro) of SARS-CoV-2 is essential for vir
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b46ce2d1ff6c7c2f5efbd2aa21d4637e
http://europepmc.org/articles/PMC8509099
http://europepmc.org/articles/PMC8509099
Autor:
Martha S Head
Publikováno v:
National Virtual Biotechnology Laboratory Symposium: Harnessing the unique strengths of DOE to tackle the biotechnology challenges of COVID-19, October 28, 2020.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bbf658281916889d276999cd1e6ca0df
https://doi.org/10.2172/1718920
https://doi.org/10.2172/1718920