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Page 1
Pharmacology and Therapeutic Potential of Benzothiazole Analogues for Cocaine Use Disorder.
J Med Chem. 2023 Sep 14;66(17):12141-12162. doi: 10.1021/acs.jmedchem.3c00734. Epub 2023 Aug 30.
J Med Chem. 2023.
PMID: 37646374
Free PMC article.
Mechanistic insight on the remdesivir binding to RNA-Dependent RNA polymerase (RdRp) of SARS-cov-2.
Arba M, Wahyudi ST, Brunt DJ, Paradis N, Wu C.
Arba M, et al. Among authors: brunt dj.
Comput Biol Med. 2021 Feb;129:104156. doi: 10.1016/j.compbiomed.2020.104156. Epub 2020 Nov 27.
Comput Biol Med. 2021.
PMID: 33260103
Free PMC article.
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Unraveling the binding mechanism of the active form of Remdesivir to RdRp of SARS-CoV-2 and designing new potential analogues: Insights from molecular dynamics simulations.
Arba M, Paradis N, Wahyudi ST, Brunt DJ, Hausman KR, Lakernick PM, Singh M, Wu C.
Arba M, et al. Among authors: brunt dj.
Chem Phys Lett. 2022 Jul 16;799:139638. doi: 10.1016/j.cplett.2022.139638. Epub 2022 Apr 20.
Chem Phys Lett. 2022.
PMID: 35475235
Free PMC article.
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Discovering new potential inhibitors to SARS-CoV-2 RNA dependent RNA polymerase (RdRp) using high throughput virtual screening and molecular dynamics simulations.
Brunt D, Lakernick PM, Wu C.
Brunt D, et al.
Sci Rep. 2022 Nov 21;12(1):19986. doi: 10.1038/s41598-022-24695-4.
Sci Rep. 2022.
PMID: 36411383
Free PMC article.
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