A combined approach of structure-based virtual screening and NMR to interrupt the PD-1/PD-L1 axis: Biphenyl-benzimidazole containing compounds as novel PD-L1 inhibitors.

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作者： Greta,Donati ^[1] ; Monica,Viviano ^[2] ; Vincenzo Maria,D'Amore ^[1] ; Alessandra,Cipriano ^[2] ; Isidora,Diakogiannaki ^[1] ; Jussara,Amato ^[1] ; Stefano,Tomassi ^[1] ; Diego,Brancaccio ^[1] ; Pasquale,Russomanno ^[1] ; Francesco Saverio,Di Leva ^[1] ; Daniela,Arosio ^[3] ; Pierfausto,Seneci ^[4] ; Sabrina,Taliani ^[5] ; Katarzyna,Magiera-Mularz ^[6] ; Bogdan,Musielak ^[6] ; Lukasz,Skalniak ^[6] ; Tad A,Holak ^[6] ; Sabrina,Castellano ^[2] ; Valeria,La Pietra ^[1] ; Luciana,Marinelli ^[1]

作者单位： Department of Pharmacy, University of Naples Federico II, Naples, Italy. ^[1] Department of Pharmacy, University of Salerno, Fisciano, Italy. ^[2] Istituto di Scienze e Tecnologie Chimiche "Giulio Natta" (SCITEC), Consiglio Nazionale delle Ricerche (CNR), Milan, Italy. ^[3] Department of Chemistry, University of Milan, Milan, Italy. ^[4] Department of Pharmacy, University of Pisa, Pisa, Italy. ^[5] Department of Organic Chemistry, Faculty of Chemistry, Jagiellonian University, Cracow, Poland. ^[6]

关键词 NMR PD-L1 inhibitors benzimidazole immunotherapy virtual screening

主题词配体(Ligands);构效关系(Structure-Activity Relationship);苯咪唑类(Benzimidazoles);水(Water);联苯化合物(Biphenyl Compounds)

DOI 10.1002/ardp.202300583

PMID 38110703

发布时间 2024-03-04

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