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 & 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