guest ::
| Home > Publications database > Identification of novel allosteric inhibitors of mutant isocitrate dehydrogenase 1 by cross docking-based virtual screening. > print |
| Home > Publications database > Identification of novel allosteric inhibitors of mutant isocitrate dehydrogenase 1 by cross docking-based virtual screening. > print |
| 001 | 142609 | ||
| 005 | 20240229105149.0 | ||
| 024 | 7 | _ | |a 10.1016/j.bmcl.2017.12.030 |2 doi |
| 024 | 7 | _ | |a pmid:29290542 |2 pmid |
| 024 | 7 | _ | |a 0960-894X |2 ISSN |
| 024 | 7 | _ | |a 1464-3405 |2 ISSN |
| 024 | 7 | _ | |a altmetric:31162150 |2 altmetric |
| 037 | _ | _ | |a DKFZ-2019-00327 |
| 041 | _ | _ | |a eng |
| 082 | _ | _ | |a 610 |
| 100 | 1 | _ | |a Zou, Fangxia |b 0 |
| 245 | _ | _ | |a Identification of novel allosteric inhibitors of mutant isocitrate dehydrogenase 1 by cross docking-based virtual screening. |
| 260 | _ | _ | |a Amsterdam [u.a.] |c 2018 |b Elsevier Science |
| 336 | 7 | _ | |a article |2 DRIVER |
| 336 | 7 | _ | |a Output Types/Journal article |2 DataCite |
| 336 | 7 | _ | |a Journal Article |b journal |m journal |0 PUB:(DE-HGF)16 |s 1552915304_20185 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
| 336 | 7 | _ | |a JOURNAL_ARTICLE |2 ORCID |
| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 520 | _ | _ | |a IDH1 mutation (mIDH1) occurs in 20-30% of gliomas and is a promising target for the cancer therapy. In this article, a cross docking-based virtual screening was employed to identify seven small molecules for the allosteric site of mIDH1. Compounds ZX01, ZX05 and ZX06 exhibited the potent inhibitory activity and the high selectivity against WT-IDH1, providing a good starting point for the further development of highly selective mIDH1 inhibitors. Importantly, the parallel artificial membrane permeation assay of the blood-brain barrier (PAMPA-BBB) identified ZX06 with a good ability to penetrate BBB. These findings indicate that ZX06 deserves further optimization as a lead compound for the treatment of patients with IDH1 mutated brain cancers. |
| 536 | _ | _ | |a 317 - Translational cancer research (POF3-317) |0 G:(DE-HGF)POF3-317 |c POF3-317 |f POF III |x 0 |
| 588 | _ | _ | |a Dataset connected to CrossRef, PubMed, |
| 700 | 1 | _ | |a Pusch, Stefan |0 P:(DE-He78)f2efee17b6ca2f790176a2c036912536 |b 1 |u dkfz |
| 700 | 1 | _ | |a Hua, Jie |b 2 |
| 700 | 1 | _ | |a Ma, Tianfang |b 3 |
| 700 | 1 | _ | |a Yang, Lijun |b 4 |
| 700 | 1 | _ | |a Zhu, Qihua |b 5 |
| 700 | 1 | _ | |a Xu, Yungen |b 6 |
| 700 | 1 | _ | |a Gu, Yueqing |b 7 |
| 700 | 1 | _ | |a von Deimling, Andreas |0 P:(DE-He78)a8a10626a848d31e70cfd96a133cc144 |b 8 |u dkfz |
| 700 | 1 | _ | |a Zha, Xiaoming |b 9 |
| 773 | _ | _ | |a 10.1016/j.bmcl.2017.12.030 |g Vol. 28, no. 3, p. 388 - 393 |0 PERI:(DE-600)1501505-1 |n 3 |p 388 - 393 |t Bioorganic & medicinal chemistry letters |v 28 |y 2018 |x 0960-894X |
| 909 | C | O | |p VDB |o oai:inrepo02.dkfz.de:142609 |
| 910 | 1 | _ | |a Deutsches Krebsforschungszentrum |0 I:(DE-588b)2036810-0 |k DKFZ |b 1 |6 P:(DE-He78)f2efee17b6ca2f790176a2c036912536 |
| 910 | 1 | _ | |a Deutsches Krebsforschungszentrum |0 I:(DE-588b)2036810-0 |k DKFZ |b 8 |6 P:(DE-He78)a8a10626a848d31e70cfd96a133cc144 |
| 913 | 1 | _ | |a DE-HGF |l Krebsforschung |1 G:(DE-HGF)POF3-310 |0 G:(DE-HGF)POF3-317 |2 G:(DE-HGF)POF3-300 |v Translational cancer research |x 0 |4 G:(DE-HGF)POF |3 G:(DE-HGF)POF3 |b Gesundheit |
| 914 | 1 | _ | |y 2018 |
| 915 | _ | _ | |a Nationallizenz |0 StatID:(DE-HGF)0420 |2 StatID |
| 915 | _ | _ | |a JCR |0 StatID:(DE-HGF)0100 |2 StatID |b BIOORG MED CHEM LETT : 2017 |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0200 |2 StatID |b SCOPUS |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0300 |2 StatID |b Medline |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0310 |2 StatID |b NCBI Molecular Biology Database |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0600 |2 StatID |b Ebsco Academic Search |
| 915 | _ | _ | |a Peer Review |0 StatID:(DE-HGF)0030 |2 StatID |b ASC |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0199 |2 StatID |b Clarivate Analytics Master Journal List |
| 915 | _ | _ | |a WoS |0 StatID:(DE-HGF)0110 |2 StatID |b Science Citation Index |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0150 |2 StatID |b Web of Science Core Collection |
| 915 | _ | _ | |a WoS |0 StatID:(DE-HGF)0111 |2 StatID |b Science Citation Index Expanded |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)1030 |2 StatID |b Current Contents - Life Sciences |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)1050 |2 StatID |b BIOSIS Previews |
| 915 | _ | _ | |a IF < 5 |0 StatID:(DE-HGF)9900 |2 StatID |
| 920 | 1 | _ | |0 I:(DE-He78)L101-20160331 |k L101 |l DKTK Heidelberg |x 0 |
| 920 | 1 | _ | |0 I:(DE-He78)G380-20160331 |k G380 |l KKE Neuropathologie |x 1 |
| 980 | _ | _ | |a journal |
| 980 | _ | _ | |a VDB |
| 980 | _ | _ | |a I:(DE-He78)L101-20160331 |
| 980 | _ | _ | |a I:(DE-He78)G380-20160331 |
| 980 | _ | _ | |a UNRESTRICTED |
| Library | Collection | CLSMajor | CLSMinor | Language | Author |
|---|