Authors Nikolayevskiy, H; Robello, M; Scerba, MT; Pasternak, EH; Saha, M; Hartman, TL; Buchholz, CA; Buckheit, RW; Durell, SR; Appella, DH in ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER published article about IMMUNODEFICIENCY-VIRUS TYPE-1; NUCLEOCAPSID PROTEIN; INFECTION; THIOESTERS; ACTIVATION; INHIBITORS; CHARMM; NCP7 in [Nikolayevskiy, Herman; Robello, Marco; Scerba, Michael T.; Pasternak, Evan H.; Saha, Mrinmoy; Appella, Daniel H.] NIDDK, Synthet Bioact Mol Sect, LBC, NIH, 8 Ctr Dr,Room 404, Bethesda, MD 20892 USA; [Hartman, Tracy L.; Buchholz, Caitlin A.; Buckheit, Robert W., Jr.] ImQuest Biosci, 7340 Execut Way,Suite R, Frederick, MD 21704 USA; [Durell, Stewart R.] NCI, Lab Cell Biol, NIH, 9000 Rockville Pike, Bethesda, MD 20892 USA in 2019, Cited 41. Application In Synthesis of 2-Aminobenzamide. The Name is 2-Aminobenzamide. Through research, I have a further understanding and discovery of 88-68-6
Mercaptobenzamide thioesters and thioethers are chemically simple HIV-1 maturation inhibitors with a unique mechanism of action, low toxicity, and a high barrier to viral resistance. A structure-activity relationship (SAR) profile based on 39 mercaptobenzamide prodrug analogs exposed divergent activity/toxicity roles for the internal and terminal amides. To probe the relationship between antiviral activity and toxicity, we generated an improved computational model for the binding of mercaptobenzamide thioesters (SAMTs) to the HIV-1 NCp7 C-terminal zinc finger, revealing the presence of a second low-energy binding orientation, hitherto undisclosed. Finally, using NMR-derived thiol -thioester exchange equilibrium constants, we propose that thermodynamics plays a role in determining the antiviral activity observed in the SAR profile. (C) 2019 Published by Elsevier Masson SAS.
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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem