tetano
Editor, Senior Moderator
Curr Comput Aided Drug Des. 2013 Oct 19. [Epub ahead of print]
Exploring the Molecular Mechanism of Action Between Drug and RNA Polymerase Based on Partially Spatial Structures.
Zhang C, Qiu X, Zheng W, Wang K, Ruan J, Shao Y.
Source
College of Mathematical Sciences and LPMC, Nankai University, Tianjin, PRC 300071. jsruan@nankai.edu.cn.
Abstract
The RNA polymerase of Influenza A virus (IAV), which is composed by three subunits PA, PB1 and PB2, is involved in transcription and replication of the influenza virus. In order to develop effective treatment for IAV, researchers have focused on designing drugs targeting IAV polymerase. Currently, crystal structures of IAV polymerase PA-PB1, PB1-PB2 complexes and PA subunit were obtained by several groups, providing useful information of potential binding sites in drug design. However, to have a full understanding of molecular mechanism of IAV polymerase in viral transcription and replication, thereby aiding drug development, a complete atomistic structure of RNA polymerase is called for. In this paper, we employed computer-aided drug design tools to describe the complete structure of RNA polymerase and proposed a putative mechanism. The combination of Vancomycin and Oseltamivir will be an effective drug to treat IAVs universally and has no drug resistance if this putative mechanism is true.
PMID:
24138396
[PubMed - as supplied by publisher]
http://www.ncbi.nlm.nih.gov/pubmed/24138396
Exploring the Molecular Mechanism of Action Between Drug and RNA Polymerase Based on Partially Spatial Structures.
Zhang C, Qiu X, Zheng W, Wang K, Ruan J, Shao Y.
Source
College of Mathematical Sciences and LPMC, Nankai University, Tianjin, PRC 300071. jsruan@nankai.edu.cn.
Abstract
The RNA polymerase of Influenza A virus (IAV), which is composed by three subunits PA, PB1 and PB2, is involved in transcription and replication of the influenza virus. In order to develop effective treatment for IAV, researchers have focused on designing drugs targeting IAV polymerase. Currently, crystal structures of IAV polymerase PA-PB1, PB1-PB2 complexes and PA subunit were obtained by several groups, providing useful information of potential binding sites in drug design. However, to have a full understanding of molecular mechanism of IAV polymerase in viral transcription and replication, thereby aiding drug development, a complete atomistic structure of RNA polymerase is called for. In this paper, we employed computer-aided drug design tools to describe the complete structure of RNA polymerase and proposed a putative mechanism. The combination of Vancomycin and Oseltamivir will be an effective drug to treat IAVs universally and has no drug resistance if this putative mechanism is true.
PMID:
24138396
[PubMed - as supplied by publisher]
http://www.ncbi.nlm.nih.gov/pubmed/24138396