Literature DB >> 30728114

Fragment-based screening of programmed death ligand 1 (PD-L1).

Evan Perry1, Jonathan J Mills1, Bin Zhao1, Feng Wang1, Qi Sun1, Plamen P Christov2, James C Tarr1, Tyson A Rietz1, Edward T Olejniczak1, Taekyu Lee1, Stephen Fesik3.   

Abstract

The PD-1 immune checkpoint pathway is a highly validated target for cancer immunotherapy. Despite the potential advantages of small molecule inhibitors over antibodies, the discovery of small molecule checkpoint inhibitors has lagged behind. To discover small molecule inhibitors of the PD-1 pathway, we have utilized a fragment-based approach. Small molecules were identified that bind to PD-L1 and crystal structures of these compounds bound to PD-L1 were obtained.
Copyright © 2019 Elsevier Ltd. All rights reserved.

Entities:  

Keywords:  Cancer drug discovery; Fragment-based screening; Immunotherapy; PD-L1 inhibitor; Structure-based design

Mesh：

Substances：

Year:  2019        PMID： 30728114      PMCID： PMC6474755          DOI： 10.1016/j.bmcl.2019.01.028

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN： 0960-894X            Impact factor:   2.823


  30 in total

1.  Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1.

Authors:  Katarzyna Guzik; Krzysztof M Zak; Przemyslaw Grudnik; Katarzyna Magiera; Bogdan Musielak; Ricarda Törner; Lukasz Skalniak; Alexander Dömling; Grzegorz Dubin; Tad A Holak
Journal:  J Med Chem       Date:  2017-06-23       Impact factor: 7.446

2.  Discovering high-affinity ligands for proteins.

Authors:  P J Hajduk; R P Meadows; S W Fesik
Journal:  Science       Date:  1997-10-17       Impact factor: 47.728

3.  Discovering high-affinity ligands for proteins: SAR by NMR.

Authors:  S B Shuker; P J Hajduk; R P Meadows; S W Fesik
Journal:  Science       Date:  1996-11-29       Impact factor: 47.728

Review 4.  The blockade of immune checkpoints in cancer immunotherapy.

Authors:  Drew M Pardoll
Journal:  Nat Rev Cancer       Date:  2012-03-22       Impact factor: 60.716

5.  Phase I study of single-agent anti-programmed death-1 (MDX-1106) in refractory solid tumors: safety, clinical activity, pharmacodynamics, and immunologic correlates.

Authors:  Julie R Brahmer; Charles G Drake; Ira Wollner; John D Powderly; Joel Picus; William H Sharfman; Elizabeth Stankevich; Alice Pons; Theresa M Salay; Tracee L McMiller; Marta M Gilson; Changyu Wang; Mark Selby; Janis M Taube; Robert Anders; Lieping Chen; Alan J Korman; Drew M Pardoll; Israel Lowy; Suzanne L Topalian
Journal:  J Clin Oncol       Date:  2010-06-01       Impact factor: 44.544

6.  Inhibitors of programmed cell death 1 (PD-1): a patent review (2010-2015).

Authors:  Tryfon Zarganes-Tzitzikas; Markella Konstantinidou; Yongzhi Gao; Dobroslawa Krzemien; Krzysztof Zak; Grzegorz Dubin; Tad A Holak; Alexander Dömling
Journal:  Expert Opin Ther Pat       Date:  2016-07-06       Impact factor: 6.674

Review 7.  Fragment-based drug discovery using NMR spectroscopy.

Authors:  Mary J Harner; Andreas O Frank; Stephen W Fesik
Journal:  J Biomol NMR       Date:  2013-05-18       Impact factor: 2.835

8.  Involvement of PD-L1 on tumor cells in the escape from host immune system and tumor immunotherapy by PD-L1 blockade.

Authors:  Yoshiko Iwai; Masayoshi Ishida; Yoshimasa Tanaka; Taku Okazaki; Tasuku Honjo; Nagahiro Minato
Journal:  Proc Natl Acad Sci U S A       Date:  2002-09-06       Impact factor: 11.205

Review 9.  Hallmarks of cancer: the next generation.

Authors:  Douglas Hanahan; Robert A Weinberg
Journal:  Cell       Date:  2011-03-04       Impact factor: 41.582

10.  Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).

Authors:  Krzysztof M Zak; Przemyslaw Grudnik; Katarzyna Guzik; Bartosz J Zieba; Bogdan Musielak; Alexander Dömling; Grzegorz Dubin; Tad A Holak
Journal:  Oncotarget       Date:  2016-05-24
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  7 in total

1.  Molecular Mechanism of Small-Molecule Inhibitors in Blocking the PD-1/PD-L1 Pathway through PD-L1 Dimerization.

Authors:  Yan Guo; Yulong Jin; Bingfeng Wang; Boping Liu
Journal:  Int J Mol Sci       Date:  2021-04-30       Impact factor: 5.923

2.  Comprehensive in vitro characterization of PD-L1 small molecule inhibitors.

Authors:  Aravindhan Ganesan; Marawan Ahmed; Isobel Okoye; Elena Arutyunova; Dinesh Babu; William L Turnbull; Joydeb Kumar Kundu; Justin Shields; Katharine Cheryl Agopsowicz; Lai Xu; Yasser Tabana; Nutan Srivastava; Guangzhi Zhang; Tae Chul Moon; Alexandr Belovodskiy; Mostofa Hena; Appan Srinivas Kandadai; Seyedeh Nargess Hosseini; Mary Hitt; John Walker; Michael Smylie; Frederick G West; Arno G Siraki; M Joanne Lemieux; Shokrollah Elahi; James A Nieman; D Lorne Tyrrell; Michael Houghton; Khaled Barakat
Journal:  Sci Rep       Date:  2019-08-27       Impact factor: 4.379

Review 3.  Small molecule inhibitors against PD-1/PD-L1 immune checkpoints and current methodologies for their development: a review.

Authors:  Chang Liu; Navindra P Seeram; Hang Ma
Journal:  Cancer Cell Int       Date:  2021-04-27       Impact factor: 5.722

4.  Exploring the Surface of the Ectodomain of the PD-L1 Immune Checkpoint with Small-Molecule Fragments.

Authors:  Radoslaw Kitel; Ismael Rodríguez; Xabier Del Corte; Jack Atmaj; Magdalena Żarnik; Ewa Surmiak; Damian Muszak; Katarzyna Magiera-Mularz; Grzegorz M Popowicz; Tad A Holak; Bogdan Musielak
Journal:  ACS Chem Biol       Date:  2022-09-08       Impact factor: 4.634

5.  A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.

Authors:  Natalia Kozlyuk; Benjamin A Gilston; Lauren E Salay; Rocco D Gogliotti; Plamen P Christov; Kwangho Kim; Mohiuddin Ovee; Alex G Waterson; Walter J Chazin
Journal:  Proteins       Date:  2021-07-02

6.  Computational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity Relationship.

Authors:  Danfeng Shi; Xiaoli An; Qifeng Bai; Zhitong Bing; Shuangyan Zhou; Huanxiang Liu; Xiaojun Yao
Journal:  Front Chem       Date:  2019-11-12       Impact factor: 5.221

7.  Structure-Based Pharmacophore Modeling, Virtual Screening, Molecular Docking, ADMET, and Molecular Dynamics (MD) Simulation of Potential Inhibitors of PD-L1 from the Library of Marine Natural Products.

Authors:  Lianxiang Luo; Ai Zhong; Qu Wang; Tongyu Zheng
Journal:  Mar Drugs       Date:  2021-12-25       Impact factor: 5.118
  7 in total

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