Detail
Článek
Článek online
FT
Medvik - BMČ
  • Je něco špatně v tomto záznamu ?

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

D. Stary, E. Nepovimova, K. Kuca, M. Bajda

. 2023 ; 101 (1) : 103-119. [pub] 20220809

Jazyk angličtina Země Anglie, Velká Británie

Typ dokumentu časopisecké články

Perzistentní odkaz   https://www.medvik.cz/link/bmc22032083

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.

Citace poskytuje Crossref.org

000      
00000naa a2200000 a 4500
001      
bmc22032083
003      
CZ-PrNML
005      
20230131151426.0
007      
ta
008      
230120s2023 enk f 000 0|eng||
009      
AR
024    7_
$a 10.1111/cbdd.14126 $2 doi
035    __
$a (PubMed)35945665
040    __
$a ABA008 $b cze $d ABA008 $e AACR2
041    0_
$a eng
044    __
$a enk
100    1_
$a Stary, Dorota $u Department of Physicochemical Drug Analysis, Faculty of Pharmacy, Jagiellonian University Medical College, Cracow, Poland $u Department of Chemistry, Faculty of Science, University of Hradec Kralove, Hradec Kralove, Czech Republic $u Doctoral School of Medical and Health Sciences, Jagiellonian University Medical College, Cracow, Poland
245    10
$a Searching for new mTOR kinase inhibitors: Analysis of binding sites and validation of docking protocols / $c D. Stary, E. Nepovimova, K. Kuca, M. Bajda
520    9_
$a 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.
650    _2
$a vazebná místa $7 D001665
650    12
$a sirolimus $7 D020123
650    12
$a protinádorové látky $7 D000970
650    _2
$a inhibitory proteinkinas $x farmakologie $x chemie $7 D047428
655    _2
$a časopisecké články $7 D016428
700    1_
$a Nepovimova, Eugenie $u Department of Chemistry, Faculty of Science, University of Hradec Kralove, Hradec Kralove, Czech Republic
700    1_
$a Kuca, Kamil $u Department of Chemistry, Faculty of Science, University of Hradec Kralove, Hradec Kralove, Czech Republic
700    1_
$a Bajda, Marek $u Department of Physicochemical Drug Analysis, Faculty of Pharmacy, Jagiellonian University Medical College, Cracow, Poland $u Department of Chemistry, Faculty of Science, University of Hradec Kralove, Hradec Kralove, Czech Republic $1 https://orcid.org/0000000160320354
773    0_
$w MED00173265 $t Chemical biology & drug design $x 1747-0285 $g Roč. 101, č. 1 (2023), s. 103-119
856    41
$u https://pubmed.ncbi.nlm.nih.gov/35945665 $y Pubmed
910    __
$a ABA008 $b sig $c sign $y p $z 0
990    __
$a 20230120 $b ABA008
991    __
$a 20230131151420 $b ABA008
999    __
$a ok $b bmc $g 1891079 $s 1183418
BAS    __
$a 3
BAS    __
$a PreBMC-MEDLINE
BMC    __
$a 2023 $b 101 $c 1 $d 103-119 $e 20220809 $i 1747-0285 $m Chemical biology & drug design $n Chem Biol Drug Des $x MED00173265
LZP    __
$a Pubmed-20230120

Najít záznam

Citační ukazatele

Možnosti archivace