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  1. Article: Using Structure-guided Fragment-Based Drug Discovery to Target

    Arif, Sheikh Mohammed / Floto, R Andres / Blundell, Tom L

    Frontiers in molecular biosciences

    2022  Volume 9, Page(s) 857000

    Abstract: Cystic fibrosis (CF) is progressive genetic disease that predisposes lungs and other organs to multiple long-lasting microbial infections. ...

    Abstract Cystic fibrosis (CF) is progressive genetic disease that predisposes lungs and other organs to multiple long-lasting microbial infections.
    Language English
    Publishing date 2022-03-30
    Publishing country Switzerland
    Document type Journal Article ; Review
    ZDB-ID 2814330-9
    ISSN 2296-889X
    ISSN 2296-889X
    DOI 10.3389/fmolb.2022.857000
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: COSMIC Cancer Gene Census 3D database: understanding the impacts of mutations on cancer targets.

    Alsulami, Ali F / Torres, Pedro H M / Moghul, Ismail / Arif, Sheikh Mohammed / Chaplin, Amanda K / Vedithi, Sundeep Chaitanya / Blundell, Tom L

    Briefings in bioinformatics

    2021  Volume 22, Issue 6

    Abstract: Mutations in hallmark genes are believed to be the main drivers of cancer progression. These mutations are reported in the Catalogue of Somatic Mutations in Cancer (COSMIC). Structural appreciation of where these mutations appear, in protein-protein ... ...

    Abstract Mutations in hallmark genes are believed to be the main drivers of cancer progression. These mutations are reported in the Catalogue of Somatic Mutations in Cancer (COSMIC). Structural appreciation of where these mutations appear, in protein-protein interfaces, active sites or deoxyribonucleic acid (DNA) interfaces, and predicting the impacts of these mutations using a variety of computational tools are crucial for successful drug discovery and development. Currently, there are 723 genes presented in the COSMIC Cancer Gene Census. Due to the complexity of the gene products, structures of only 87 genes have been solved experimentally with structural coverage between 90% and 100%. Here, we present a comprehensive, user-friendly, web interface (https://cancer-3d.com/) of 714 modelled cancer-related genes, including homo-oligomers, hetero-oligomers, transmembrane proteins and complexes with DNA, ribonucleic acid, ligands and co-factors. Using SDM and mCSM software, we have predicted the impacts of reported mutations on protein stability, protein-protein interfaces affinity and protein-nucleic acid complexes affinity. Furthermore, we also predicted intrinsically disordered regions using DISOPRED3.
    MeSH term(s) Biomarkers, Tumor ; Computational Biology/methods ; Data Analysis ; Databases, Genetic ; Humans ; Models, Molecular ; Mutation ; Neoplasms/genetics ; Oncogenes ; Software ; Structure-Activity Relationship ; User-Computer Interface ; Workflow
    Chemical Substances Biomarkers, Tumor
    Language English
    Publishing date 2021-06-16
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2068142-2
    ISSN 1477-4054 ; 1467-5463
    ISSN (online) 1477-4054
    ISSN 1467-5463
    DOI 10.1093/bib/bbab220
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

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    bis Jg. 2021: Bestellungen von Artikeln über das Online-Bestellformular
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