Selected article for: "active domain and acute respiratory syndrome"
Author: Du, Qi-Shi; Wang, Shu-Qing; Zhu, Yu; Wei, Dong-Qing; Guo, Hong; Sirois, Suzanne; Chou, Kuo-Chen
Title: Polyprotein cleavage mechanism of SARS CoV M(pro) and chemical modification of the octapeptide
  • Cord-id: 4jrro0gd
  • Document date: 2004_7_31
    • ID: 4jrro0gd
    Snippet: The cleavage mechanism of severe acute respiratory syndrome (SARS) coronavirus main proteinase (M(pro) or 3CL(pro)) for the octapeptide AVLQSGFR is studied using molecular mechanics (MM) and quantum mechanics (QM). The catalytic dyad His-41 and Cys-145 in the active pocket between domain I and II seem to polarize the π-electron density of the peptide bond between Gln and Ser in the octapeptide, leading to an increase of positive charge on C(CO) of Gln and negative charge on N(NH) of Ser. The po
    Document: The cleavage mechanism of severe acute respiratory syndrome (SARS) coronavirus main proteinase (M(pro) or 3CL(pro)) for the octapeptide AVLQSGFR is studied using molecular mechanics (MM) and quantum mechanics (QM). The catalytic dyad His-41 and Cys-145 in the active pocket between domain I and II seem to polarize the π-electron density of the peptide bond between Gln and Ser in the octapeptide, leading to an increase of positive charge on C(CO) of Gln and negative charge on N(NH) of Ser. The possibility of enhancing the chemical bond between Gln and Ser based on the “distorted key” theory [Anal. Biochem. 233 (1996) 1] is examined. The scissile peptide bond between Gln and Ser is found to be solidified through “hybrid peptide bond” by changing the carbonyl group CO of Gln to CH(2) or CF(2). This leads to a break of the π-bond system for the peptide bond, making the octapeptide (AVLQSGFR) a “distorted key” and a potential starting system for the design of anti SARS drugs.

    Search related documents:
    Co phrase search for related documents
    • acid base catalytic role and active site: 1
    • active cleft and acute sars respiratory syndrome: 1, 2, 3, 4
    • active pocket and acute sars respiratory syndrome: 1, 2, 3, 4, 5, 6, 7, 8, 9
    • active region and acute sars respiratory syndrome: 1, 2, 3
    • active region bind and acute sars respiratory syndrome: 1
    • active site and acute sars respiratory syndrome: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25
    • active site bind and acute sars respiratory syndrome: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12