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Searching for new mTOR kinase inhibitors: Analysis of binding sites and validation of docking protocols

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F62690094%3A18470%2F22%3A50019319" target="_blank" >RIV/62690094:18470/22:50019319 - isvavai.cz</a>

  • Result on the web

    <a href="https://onlinelibrary.wiley.com/doi/10.1111/cbdd.14126" target="_blank" >https://onlinelibrary.wiley.com/doi/10.1111/cbdd.14126</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1111/cbdd.14126" target="_blank" >10.1111/cbdd.14126</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Searching for new mTOR kinase inhibitors: Analysis of binding sites and validation of docking protocols

  • Original language description

    The mammalian target of rapamycin (mTOR) is an important biological target for development of novel anticancer drugs and potential antiageing agents. Therefore, many scientific groups search for mTOR kinase inhibitors. Herein, we present structure-based approach which could be helpful in the studies on new bioactive compounds. Method validation was preceded by structural analysis of ATP catalytic cleft and FRB domain. In silico studies allowed us to point crucial amino acid residues for ligand binding and develop optimal docking protocols. The presented methodology could be applied for design and development of potential mTOR kinase inhibitors. © 2022 John Wiley &amp; Sons Ltd.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    30107 - Medicinal chemistry

Result continuities

  • Project

    <a href="/en/project/GA20-22037S" target="_blank" >GA20-22037S: The therapeutic potential of novel mTOR inhibitors within the process of ageing</a><br>

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Others

  • Publication year

    2022

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Chemical biology and drug design

  • ISSN

    1747-0277

  • e-ISSN

    1747-0285

  • Volume of the periodical

    101

  • Issue of the periodical within the volume

    1

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    17

  • Pages from-to

    103-119

  • UT code for WoS article

    000839544900001

  • EID of the result in the Scopus database

    2-s2.0-85135614835