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In-silico three dimensional structure prediction of important Neisseria meningitidis proteins

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dc.contributor.author Ali, Muhammad
dc.contributor.author Aurongzeb, Muhammad
dc.contributor.author Rashid, Yasmeen
dc.date.accessioned 2022-10-27T10:43:46Z
dc.date.available 2022-10-27T10:43:46Z
dc.date.issued 2021-03-09
dc.identifier.citation Ali, M., Aurongzeb, M., & Rashid, Y. (2021). In-silico three dimensional structure prediction of important Neisseria meningitidis proteins. Pakistan Journal of Pharmaceutical Sciences, 34(2). en_US
dc.identifier.issn 1011-601X
dc.identifier.uri http://142.54.178.187:9060/xmlui/handle/123456789/13804
dc.description.abstract Pathogenic bacteria Neisseria meningitidis cause serious infection i.e. meningitis (infection of the brain) worldwide. Among five pathogenic serogroups, serogroup B causes life threatening illness as there is no effective vaccine available due to its poor immunogenicity. A total of 73 genes in N. meningitidis genome have identified that were proved to be essential for meningococcal disease and were considered as crucial drug targets. We targeted five of those proteins, which are known to involve in amino acid biosynthesis, for homology-based three dimensional structure determinations by MODELLER (v9.19) and evaluated the models by PROSA and PROCHECK programs. Detailed structural analyses of NMB0358, NMB0943, NMB1446, NMB1577 and NMB1814 proteins were carried out during the present research. Based on a high degree of sequence conservation between target and template protein sequences, excellent models were built. The overall three dimensional architectures as well as topologies of all the proteins were quite similar with that of the templates. Active site residues of all the homology models were quite conserved with respect to their respective templates indicating similar catalytic mechanisms in these orthologues. Here, we are reporting, for the first time, detailed three dimensional folds of N. meningitidis pathogenic factors involved in a crucial cellular metabolic pathway. Moreover, the three dimensional structural information of these important drug targets would be utilized in computer-aided drug designing in future. en_US
dc.language.iso en en_US
dc.publisher Karachi:Pakistan Journal of Pharmaceutical Sciences, university of Karachi. en_US
dc.subject Neisseria meningitidis en_US
dc.subject homology modeling en_US
dc.subject amino acid biosynthesis en_US
dc.subject MODELLER en_US
dc.title In-silico three dimensional structure prediction of important Neisseria meningitidis proteins en_US
dc.type Article en_US


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