A computational analysis of SARS cysteine proteinase-octapeptide substrate interaction: implication for structure and active site binding mechanism

被引：0

作者：

Krongsakda Phakthanakanok

Khanok Ratanakhanokchai

Khin Lay Kyu

Pornthep Sompornpisut

Aaron Watts

Surapong Pinitglang

机构：

[1] King Mongkut's University of Technology Thonburi,Division of Biochemical Technology, School of Bioresources and Technology

[2] Chulalongkorn University,Computational Chemistry Unit Cell, Department of Chemistry, Faculty of Science

[3] The University of Exeter,School of Biosciences

[4] University of the Thai Chamber of Commerce,Department of Food Science and Technology, School of Science

[5] INTO University of Exeter,The Old Library

来源：

BMC Bioinformatics | / 10卷

关键词：

Molecular Dynamic Simulation; Molecular Docking; Root Mean Square Deviation; Severe Acute Respiratory Syndrome; Severe Acute Respiratory Syndrome;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

引用

共 7 条

[1] A computational analysis of SARS cysteine proteinase-octapeptide substrate interaction: implication for structure and active site binding mechanism
Phakthanakanok, Krongsakda
Ratanakhanokchai, Khanok
Kyu, Khin Lay
Sompornpisut, Pornthep
Watts, Aaron
Pinitglang, Surapong
BMC BIOINFORMATICS, 2009, 10
[2] Structural Analysis of Crystal Structure of Family C1 Cysteine Proteinase: Insight into Interaction of the Active Site with Inhibitors and substrate by Molecular Modeling
Dussadee, Tossaporn
Ratanakhanokchai, Khanok
Kyu, Khin Lay
Saiprajong, Ratchanee
Pinitglang, Surapong
PROCEEDINGS OF 48TH KASETSART UNIVERSITY ANNUAL CONFERENCE: SCIENCE, 2010, : 85 - 92
[3] Computational prediction of structure, substrate binding mode, mechanism, and rate for a malaria protease with a novel type of active site
Bjelic, S
Åqvist, J
BIOCHEMISTRY, 2004, 43 (46) : 14521 - 14528
[4] Computational prediction of structure, substrate binding mode, mechanism and rate for a malaria protease with a novel type of active site.
Bjelic, S
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 229 : U782 - U782
[5] STRUCTURE OF AN L-TYROSYL-L-HISTIDINE-COPPER COMPLEX INVOLVING AN AXIAL COPPER(II)-PHENOL OH BONDING - IMPLICATION FOR SUBSTRATE BINDING AT THE ACTIVE-SITE OF TYROSINASE
MASUDA, H
ODANI, A
YAMAUCHI, O
INORGANIC CHEMISTRY, 1989, 28 (04) : 624 - 625
[6] A computational comparative analysis of the binding mechanism of molnupiravir's active metabolite to RNA-dependent RNA polymerase of wild-type and Delta subvariant AY.4 of SARS-CoV-2
Celik, Ismail
Tallei, Trina E.
JOURNAL OF CELLULAR BIOCHEMISTRY, 2022, 123 (04) : 807 - 818
[7] A Highly Conserved Interaction Involving the Middle Residue of the SXN Active-Site Motif Is Crucial for Function of Class B Penicillin-Binding Proteins: Mutational and Computational Analysis of PBP 2 from N. gonorrhoeae
Tomberg, Joshua
Temple, Brenda
Fedarovich, Alena
Davies, Christopher
Nicholas, Robert A.
BIOCHEMISTRY, 2012, 51 (13) : 2775 - 2784

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