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pro vyhledávání: '"Jeremie, Vendome"'
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Autor:
Mayako Michino, Alexandre Beautrait, Nicholas A. Boyles, Aparna Nadupalli, Alexey Dementiev, Shan Sun, John Ginn, Leigh Baxt, Robert Suto, Ruslana Bryk, Steven V. Jerome, David J. Huggins, Jeremie Vendome
Publikováno v:
ACS Bio & Med Chem Au, Vol 3, Iss 6, Pp 507-515 (2023)
Externí odkaz:
https://doaj.org/article/99980f342df14d1c97670515cf35c114
Autor:
Jennifer L Small-Saunders, Laura M Hagenah, Kathryn J Wicht, Satish K Dhingra, Ioanna Deni, Jonathan Kim, Jeremie Vendome, Eva Gil-Iturbe, Paul D Roepe, Monica Mehta, Filippo Mancia, Matthias Quick, Margaret J Eppstein, David A Fidock
Publikováno v:
PLoS Pathogens, Vol 18, Iss 2, p e1010278 (2022)
Multidrug-resistant Plasmodium falciparum parasites have emerged in Cambodia and neighboring countries in Southeast Asia, compromising the efficacy of first-line antimalarial combinations. Dihydroartemisinin + piperaquine (PPQ) treatment failure rate
Externí odkaz:
https://doaj.org/article/c0f2898adda746c4b1fca32595599be4
Autor:
Wei Chen, Di Cui, Steven V. Jerome, Mayako Michino, Eelke B. Lenselink, David J. Huggins, Alexandre Beautrait, Jeremie Vendome, Robert Abel, Richard A. Friesner, Lingle Wang
Publikováno v:
Journal of Chemical Information and Modeling. 63:3171-3185
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0374b09e855dff6a4b4b6a763aa8d296
https://doi.org/10.1021/acs.jcim.3c00013
https://doi.org/10.1021/acs.jcim.3c00013
Autor:
Hao Zhang, John Ginn, Wenhu Zhan, Annie Leung, Yi J. Liu, Akinori Toita, Rei Okamoto, Tzu-Tshin Wong, Toshihiro Imaeda, Ryoma Hara, Mayako Michino, Takafumi Yukawa, Sevil Chelebieva, Patrick K. Tumwebaze, Jeremie Vendome, Thijs Beuming, Kenjiro Sato, Kazuyoshi Aso, Philip J. Rosenthal, Roland A. Cooper, Nigel Liverton, Michael Foley, Peter T. Meinke, Carl F. Nathan, Laura A. Kirkman, Gang Lin
Publikováno v:
Journal of Medicinal Chemistry. 66:1484-1508
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::396cefbba4bbff5c41d426f4caafe461
https://doi.org/10.1021/acs.jmedchem.2c01651
https://doi.org/10.1021/acs.jmedchem.2c01651
Autor:
Hao Zhang, John Ginn, Wenhu Zhan, Yi J. Liu, Annie Leung, Akinori Toita, Rei Okamoto, Tzu-Tshin Wong, Toshihiro Imaeda, Ryoma Hara, Takafumi Yukawa, Mayako Michino, Jeremie Vendome, Thijs Beuming, Kenjiro Sato, Kazuyoshi Aso, Peter T. Meinke, Carl F. Nathan, Laura A. Kirkman, Gang Lin
Publikováno v:
Journal of Medicinal Chemistry. 65:9350-9375
With over 200 million cases and close to half a million deaths each year, malaria is a threat to global health, particularly in developing countries.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5b58c6b8b4be75e0e7350e808c708fd6
https://doi.org/10.1021/acs.jmedchem.2c00611
https://doi.org/10.1021/acs.jmedchem.2c00611
Autor:
Samantha Ottavi, Sarah M. Scarry, John Mosior, Yan Ling, Julia Roberts, Amrita Singh, David Zhang, Laurent Goullieux, Christine Roubert, Eric Bacqué, H. Rachel Lagiakos, Jeremie Vendome, Francesca Moraca, Kelin Li, Andrew J. Perkowski, Remya Ramesh, Matthew M. Bowler, William Tracy, Victoria A. Feher, James C. Sacchettini, Ben S. Gold, Carl F. Nathan, Jeffrey Aubé
Publikováno v:
Journal of Medicinal Chemistry. 65:1996-2022
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::13bb9e5143b62526d09858cde7842507
https://doi.org/10.1021/acs.jmedchem.1c01565
https://doi.org/10.1021/acs.jmedchem.1c01565
Autor:
Wei Chen, Di Cui, Steven V. Jerome, Mayako Michino, Eelke B. Lenselink, David Huggins, Alexandre Beautrait, Jeremie Vendome, Robert Abel, Richard A. Friesner, Lingle Wang
In the hit identification stage of drug discovery, a diverse chemical space needs to be explored to identify initial hits. Contrary to empirical scoring functions, absolute protein-ligand binding free energy perturbation (ABFEP) provides a theoretica
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8d5447463d01c506196f5b48cd015db6
https://doi.org/10.26434/chemrxiv-2022-2t0dq-v3
https://doi.org/10.26434/chemrxiv-2022-2t0dq-v3
Autor:
Tianchuan Xu, Kai Zhu, Alexandre Beautrait, Jeremie Vendome, Kenneth W. Borrelli, Robert Abel, Richard A. Friesner, Edward B. Miller
Publikováno v:
Journal of chemical theory and computation. 18(9)
Homology models have been used for virtual screening and to understand the binding mode of a known active, however rare-ly have the models been shown to be of sufficient accuracy, comparable to crystal structures, to support free-energy perturba-tion
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::77dbe0ede28f66fd9d882d52b1616edd
https://pubmed.ncbi.nlm.nih.gov/35972903
https://pubmed.ncbi.nlm.nih.gov/35972903
Autor:
Shoshanna C. Kahne, Tierra Ouellette, Priya Saha, Huilin Li, Michael Foley, Toshihiro Imaeda, Kazuyoshi Aso, Ryoma Hara, K. Heran Darwin, Carl Nathan, Masanori Kawasaki, Akinori Toita, Wenhu Zhan, Francesca Moraca, Gang Lin, Jeremie Vendome, Takafumi Yukawa, John Ginn, Xiuju Jiang, Mayako Michino, Kenjiro Sato, Peter T. Meinke, Hao Zhang, Kristin Burns-Huang, Rei Okamoto, Tzu-Tshin Wong, Hao-Chi Hsu
Publikováno v:
Journal of Medicinal Chemistry. 64:6262-6272
Treatment of tuberculosis (TB) currently takes at least 6 months. Latent Mycobacterium tuberculosis (Mtb) is phenotypically tolerant to most anti-TB drugs. A key hypothesis is that drugs that kill nonreplicating (NR) Mtb may shorten treatment when us
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::49ac426b4c19d0fdaa3f695a2619ad2e
https://doi.org/10.1021/acs.jmedchem.1c00296
https://doi.org/10.1021/acs.jmedchem.1c00296