التفاصيل البيبلوغرافية
العنوان:
Identification of new Hsp90 inhibitors by structure-based virtual screening
المؤلفون:
Tae-Joon Hong , Yun-Jung Kim , Jaehoon Jeong , Ji-Sook Hahn , Hwangseo Park
المصدر:
Bioorganicmedicinal chemistry letters . 19(16)
سنة النشر:
2009
مصطلحات موضوعية:
Molecular model , Databases, Factual , Stereochemistry , Receptor, ErbB-2 , Clinical Biochemistry , Pharmaceutical Science , Tumor cells , Antineoplastic Agents , Computational biology , Biochemistry , Cell Line, Tumor , Drug Discovery , Combinatorial Chemistry Techniques , Humans , Computer Simulation , HSP90 Heat-Shock Proteins , Molecular Biology , Virtual screening , Binding Sites , biology , Chemistry , Organic Chemistry , Triazoles , Hsp90 , Pyrimidines , Anti cancer drugs , biology.protein , Molecular Medicine , Structure based
الوصف:
Structure-based virtual screening identified pyrimidine-2,4,6-trione and 4H-1,2,4-triazole-3-thiol as novel scaffolds of Hsp90 ATPase inhibitors. Their binding modes in the ATP-binding pocket of Hsp90 were analyzed using AutoDoc program combined with molecular dynamics (MD) simulations.
تدمد:
1464-3405
الوصول الحر:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::237a69d8f8deddade92b6cdd74c7b1fcTest https://pubmed.ncbi.nlm.nih.gov/19560353Test
حقوق:
CLOSED
رقم الانضمام:
edsair.doi.dedup.....237a69d8f8deddade92b6cdd74c7b1fc
قاعدة البيانات:
OpenAIRE
