BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

142 related articles for article (PubMed ID: 38598723)

  • 1. Virtual Screening of a Chemically Diverse "Superscaffold" Library Enables Ligand Discovery for a Key GPCR Target.
    Grotsch K; Sadybekov AV; Hiller S; Zaidi S; Eremin D; Le A; Liu Y; Smith EC; Illiopoulis-Tsoutsouvas C; Thomas J; Aggarwal S; Pickett JE; Reyes C; Picazo E; Roth BL; Makriyannis A; Katritch V; Fokin VV
    ACS Chem Biol; 2024 Apr; 19(4):866-874. PubMed ID: 38598723
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Synthon-based ligand discovery in virtual libraries of over 11 billion compounds.
    Sadybekov AA; Sadybekov AV; Liu Y; Iliopoulos-Tsoutsouvas C; Huang XP; Pickett J; Houser B; Patel N; Tran NK; Tong F; Zvonok N; Jain MK; Savych O; Radchenko DS; Nikas SP; Petasis NA; Moroz YS; Roth BL; Makriyannis A; Katritch V
    Nature; 2022 Jan; 601(7893):452-459. PubMed ID: 34912117
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Correlation of protein binding pocket properties with hits' chemistries used in generation of ultra-large virtual libraries.
    Song RX; Nicklaus MC; Tarasova NI
    J Comput Aided Mol Des; 2024 May; 38(1):22. PubMed ID: 38753096
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Docking Finds GPCR Ligands in Dark Chemical Matter.
    Ballante F; Rudling A; Zeifman A; Luttens A; Vo DD; Irwin JJ; Kihlberg J; Brea J; Loza MI; Carlsson J
    J Med Chem; 2020 Jan; 63(2):613-620. PubMed ID: 31846328
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Combination of Pharmacophore Matching, 2D Similarity Search, and In Vitro Biological Assays in the Selection of Potential 5-HT6 Antagonists from Large Commercial Repositories.
    Dobi K; Flachner B; Pukáncsik M; Máthé E; Bognár M; Szaszkó M; Magyar C; Hajdú I; Lőrincz Z; Simon I; Fülöp F; Cseh S; Dormán G
    Chem Biol Drug Des; 2015 Oct; 86(4):864-80. PubMed ID: 25823681
    [TBL] [Abstract][Full Text] [Related]  

  • 6. The integration of pharmacophore-based 3D QSAR modeling and virtual screening in safety profiling: A case study to identify antagonistic activities against adenosine receptor, A2A, using 1,897 known drugs.
    Fan F; Toledo Warshaviak D; Hamadeh HK; Dunn RT
    PLoS One; 2019; 14(1):e0204378. PubMed ID: 30605479
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Structure-based virtual screening of the nociceptin receptor: hybrid docking and shape-based approaches for improved hit identification.
    Daga PR; Polgar WE; Zaveri NT
    J Chem Inf Model; 2014 Oct; 54(10):2732-43. PubMed ID: 25148595
    [TBL] [Abstract][Full Text] [Related]  

  • 8. GPCR profiling: from hits to leads and from genotype to phenotype.
    Cvijic ME; Sum CS; Alt A; Zhang L
    Drug Discov Today Technol; 2015 Nov; 18():30-7. PubMed ID: 26723890
    [TBL] [Abstract][Full Text] [Related]  

  • 9. The identification of high-affinity G protein-coupled receptor ligands from large combinatorial libraries using multicolor quantum dot-labeled cell-based screening.
    Fu J; Lee T; Qi X
    Future Med Chem; 2014 May; 6(7):809-23. PubMed ID: 24941874
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Identification of Novel CB2 Ligands through Virtual Screening and In Vitro Evaluation.
    Stasiulewicz A; Lesniak A; Bujalska-Zadrożny M; Pawiński T; Sulkowska JI
    J Chem Inf Model; 2023 Feb; 63(3):1012-1027. PubMed ID: 36693026
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Identification of Novel Antagonists Targeting Cannabinoid Receptor 2 Using a Multi-Step Virtual Screening Strategy.
    Wang M; Hou S; Liu Y; Li D; Lin J
    Molecules; 2021 Nov; 26(21):. PubMed ID: 34771087
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Fragment-based lead discovery on G-protein-coupled receptors.
    Visegrády A; Keserű GM
    Expert Opin Drug Discov; 2013 Jul; 8(7):811-20. PubMed ID: 23621346
    [TBL] [Abstract][Full Text] [Related]  

  • 13. AI-Powered Virtual Screening of Large Compound Libraries Leads to the Discovery of Novel Inhibitors of Sirtuin-1.
    Gryniukova A; Kaiser F; Myziuk I; Alieksieieva D; Leberecht C; Heym PP; Tarkhanova OO; Moroz YS; Borysko P; Haupt VJ
    J Med Chem; 2023 Aug; 66(15):10241-10251. PubMed ID: 37499195
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Structure-Based Virtual Screening of Ultra-Large Library Yields Potent Antagonists for a Lipid GPCR.
    Sadybekov AA; Brouillette RL; Marin E; Sadybekov AV; Luginina A; Gusach A; Mishin A; Besserer-Offroy É; Longpré JM; Borshchevskiy V; Cherezov V; Sarret P; Katritch V
    Biomolecules; 2020 Dec; 10(12):. PubMed ID: 33287369
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Efficient search of chemical space: navigating from fragments to structurally diverse chemotypes.
    Wassermann AM; Kutchukian PS; Lounkine E; Luethi T; Hamon J; Bocker MT; Malik HA; Cowan-Jacob SW; Glick M
    J Med Chem; 2013 Nov; 56(21):8879-91. PubMed ID: 24117015
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Locating sweet spots for screening hits and evaluating pan-assay interference filters from the performance analysis of two lead-like libraries.
    Mok NY; Maxe S; Brenk R
    J Chem Inf Model; 2013 Mar; 53(3):534-44. PubMed ID: 23451880
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ligand Discovery for a Peptide-Binding GPCR by Structure-Based Screening of Fragment- and Lead-Like Chemical Libraries.
    Ranganathan A; Heine P; Rudling A; Plückthun A; Kummer L; Carlsson J
    ACS Chem Biol; 2017 Mar; 12(3):735-745. PubMed ID: 28032980
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The Pan-Canadian Chemical Library: A Mechanism to Open Academic Chemistry to High-Throughput Virtual Screening.
    Bedart C; Shimokura G; West FG; Wood TE; Batey RA; Irwin JJ; Schapira M
    Sci Data; 2024 Jun; 11(1):597. PubMed ID: 38844472
    [TBL] [Abstract][Full Text] [Related]  

  • 19. DNA-encoded chemical libraries: advancing beyond conventional small-molecule libraries.
    Franzini RM; Neri D; Scheuermann J
    Acc Chem Res; 2014 Apr; 47(4):1247-55. PubMed ID: 24673190
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Small-Molecule Library Subset Screening as an Aid for Accelerating Lead Identification.
    Beresini MH; Liu Y; Dawes TD; Clark KR; Orren L; Schmidt S; Turincio R; Jones SW; Rodriguez RA; Thana P; Hascall D; Gross DP; Skelton NJ
    J Biomol Screen; 2014 Jun; 19(5):758-70. PubMed ID: 24518067
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.