PBRM1 is a subunit of the PBAF chromatin remodeling complex that uniquely contains six bromodomains. PBRM1 can operate as a tumor suppressor or tumor promoter. PBRM1 is a tumor promoter in prostate cancer, contributing to migratory and immunosuppressive phenotypes. Selective chemical probes targeting PBRM1 bromodomains are desired to elucidate the association between aberrant PBRM1 chromatin binding and cancer pathogenesis and the contributions of PBRM1 to immunotherapy. Previous PBRM1...
[NMR paper] Discovery of a series of selective and cell permeable beta-secretase (BACE1) inhibitors by fragment linking with the assistance of STD-NMR.
Discovery of a series of selective and cell permeable beta-secretase (BACE1) inhibitors by fragment linking with the assistance of STD-NMR.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/https:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Discovery of a series of selective and cell permeable beta-secretase (BACE1) inhibitors by fragment linking with the assistance of STD-NMR.
Bioorg Chem. 2019 11;92:103253
Authors: Fang WS, Sun DY, Yang S, Cheng C, Moschke K, Li T, Sun S, Lichtenthaler SF, Huang J, Wang...
[NMR paper] 19F-NMR-based fragment screening for 14 different biologically active RNAs and 10 DNA and protein counter-screens.
19F-NMR-based fragment screening for 14 different biologically active RNAs and 10 DNA and protein counter-screens.
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Chembiochem. 2020 Aug 14;:
Authors: Binas O, de Jesus V, Landgraf T, Völklein AE, Martins J, Hymon D, Berg H, Bains JK, Biedenbänder T, Fürtig B, Gande SL, Niesteruk A, Oxenfarth A, Qureshi NS, Schamber T, Schnieders R, Tröster A, Wacker A, Wirmer-Bartoschek J, Martin MAW, Stirnal E, Azzaoui K, Blommers...
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[NMR paper] Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 (BCL6) BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 (BCL6) BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
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J Med Chem. 2018 Jul 03;:
Authors: Cheng H, Linhares B, Yu W, Cardenas MG, Ai Y, Jiang W, Winkler A, Cohen S, Melnick A, MacKerell AD, Cierpicki T, Xue F
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Protein-protein interactions (PPI) between the transcriptional repressor B-cell...
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[NMR paper] Potent inhibitors of Mycobacterium tuberculosis growth identified by using in-cell NMR-based screening.
Potent inhibitors of Mycobacterium tuberculosis growth identified by using in-cell NMR-based screening.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles Potent inhibitors of Mycobacterium tuberculosis growth identified by using in-cell NMR-based screening.
ACS Chem Biol. 2018 Jan 23;:
Authors: DeMott CM, Girardin R, Cobbert J, Reverdatto S, Burz DS, McDonough K, Shekhtman A
Abstract
In-cell NMR spectroscopy was used to screen for drugs that disrupt the...
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[NMR paper] Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of ?-Secretase.
Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of ?-Secretase.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of ?-Secretase.
J Med Chem. 2016 Apr 28;59(8):3732-49
Authors: Jordan JB, Whittington DA, Bartberger MD, Sickmier EA, Chen K, Cheng Y, Judd T
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Fragment-based drug discovery...
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07-20-2017 08:40 AM
[NMR paper] Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
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Bioorg Med Chem Lett. 2017 Apr 04;:
Authors: Spiliotopoulos D, Zhu J, Wamhoff EC, Deerain N, Marchand JR, Aretz J, Rademacher C, Caflisch A
Abstract
Overexpression of the CREB-binding protein (CBP), a bromodomain-containing transcription coactivator involved in a variety of cellular processes, has been observed in several types of cancer with a...
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[NMR paper] An NMR-Guided Screening Method for Selective Fragment Docking and Synthesis of a Warhead Inhibitor.
An NMR-Guided Screening Method for Selective Fragment Docking and Synthesis of a Warhead Inhibitor.
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Molecules. 2016;21(7)
Authors: Khattri RB, Morris DL, Davis CM, Bilinovich SM, Caras AJ, Panzner MJ, Debord MA, Leeper TC
Abstract
Selective hits for the glutaredoxin ortholog of Brucella melitensis are determined using STD NMR and verified by trNOE and (15)N-HSQC titration. The most promising hit, RK207, was...
Selective and Cell-Active PBRM1 Bromodomain Inhibitors Discovered through NMR Fragment Screening
Linear Mode
