来自指根(Boesenbergia rotunda)成分的新型登革热竞争性Den2 Ns2b/Ns3抑制剂的片段分子设计

Q2 Medicine In Silico Biology Pub Date : 2011-01-01 DOI:10.3233/ISB-2012-0442

Neni Frimayanti, Sharifuddin M Zain, Vannajan Sanghiran Lee, Habibah A Wahab, Rohana Yusof, Noorsaadah Abd Rahman

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Fragment-based molecular design of new competitive dengue Den2 Ns2b/Ns3 inhibitors from the components of fingerroot (Boesenbergia rotunda).

Neni Frimayanti, Sharifuddin M. Zain, Vannajan Sanghiran Lee, Habibah A. Wahab, Rohana Yusof and Noorsaadah Abd. Rahmana,∗ Department of Chemistry, Faculty of Science, University of Malaya Lembah Pantai, Kuala Lumpur, Malaysia Computational Simulation and Modeling Laboratory, Department of Chemistry and Center for Innovation in Chemistry, Chiang Mai University, Bangkok, Thailand Pharmaceutical Design and Simulation Laboratory, School of Pharmaceutical Sciences, Universiti Sains Malaysia, Penang, Malaysia Department of Molecular Medicine, Faculty of Medicine, University Malaya, Kuala Lumpur, Malaysia

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来源期刊

In Silico Biology Computer Science-Computational Theory and Mathematics

CiteScore

2.20

自引率

0.00%

发文量

期刊介绍： The considerable "algorithmic complexity" of biological systems requires a huge amount of detailed information for their complete description. Although far from being complete, the overwhelming quantity of small pieces of information gathered for all kind of biological systems at the molecular and cellular level requires computational tools to be adequately stored and interpreted. Interpretation of data means to abstract them as much as allowed to provide a systematic, an integrative view of biology. Most of the presently available scientific journals focus either on accumulating more data from elaborate experimental approaches, or on presenting new algorithms for the interpretation of these data. Both approaches are meritorious.