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Volumn 21, Issue 8, 2011, Pages 2425-2429

Design and synthesis of several small-size HTLV-I protease inhibitors with different hydrophilicity profiles

Author keywords

Adult T cell leukemia; Aspartic protease; HAM TSP; Human T cell lymphotropic virus; Inhibitor

Indexed keywords

KNI 10562; KNI 10605; KNI 10608; KNI 10635; KNI 10680; KNI 10752; KNI 10753; KNI 10756; KNI 10767; KNI 10768; KNI 10838; KNI 10856; KNI 10857; KNI 10858; KNI 10859; PROTEINASE INHIBITOR; UNCLASSIFIED DRUG;

EID: 79953286584     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2011.02.066     Document Type: Article
Times cited : (13)

References (23)
  • 11
    • 79953276675 scopus 로고    scopus 로고
    • note
    • 50 values was calculated from the root mean square deviation (RMSD) of the plot, that is, 50% ± RMSD inhibition.
  • 12
    • 79953282954 scopus 로고    scopus 로고
    • 22
    • 22
  • 15
    • 79953277491 scopus 로고    scopus 로고
    • note
    • Computer-assisted modeling experiments and chemical property calculations were performed using Molecular Operating Environment 2009.1001 (MOE), and modeled from PDB 3LIN. When studying the involvement of water (Fig. 4), a sphere (10 ) of water was generated around the compound's amino or hydroxyl groups using MOE's Water-Soak function. The system was energy minimized using the LigX function under MMFF94x force-field: the proximal (8 ) protease heavy atom residues were tethered while the compound was flexible. Visualization of the subsites (Fig. 1) was assisted by UCSF Chimera 1.4.1.
  • 16
    • 79953272317 scopus 로고    scopus 로고
    • note
    • 3N as base by a reaction with methyl chloroformate for compounds 2 and 3, or with benzylbromide for compound 13. The nucleophilic substitution reactions in compounds 11, 12, 14 and 15 was performed with methyl iodide or ethyl iodide, respectively, to afford a mixture of mono- and disubstituted products. After preparative HPLC purification, all target compounds (1-15) were >95% pure by analytical HPLC (Supplementary data). The identities of the compounds were confirmed by TOF MS and ESI-Q MS.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.