These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

140 related articles for article (PubMed ID: 35980989)

  • 1. Mechanistic Investigation of Lysine-Targeted Covalent Inhibition of PI3Kδ via ONIOM QM:QM Computations.
    Fındık V; Varınca Gerçik BT; Sinek Ö; Erdem SS; Ruiz-López MF
    J Chem Inf Model; 2022 Dec; 62(24):6775-6787. PubMed ID: 35980989
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Mechanistic insights into lysine-targeting covalent inhibition through a theoretical study of ester aminolysis.
    Fındık V; Ruiz-López MF; Erdem SS
    Org Biomol Chem; 2021 Nov; 19(45):9996-10004. PubMed ID: 34755747
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Acetylation of the Catalytic Lysine Inhibits Kinase Activity in PI3Kδ.
    Fournier JCL; Evans JP; Zappacosta F; Thomas DA; Patel VK; White GV; Campos S; Tomkinson NCO
    ACS Chem Biol; 2021 Sep; 16(9):1644-1653. PubMed ID: 34397208
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Selectively Targeting the Kinome-Conserved Lysine of PI3Kδ as a General Approach to Covalent Kinase Inhibition.
    Dalton SE; Dittus L; Thomas DA; Convery MA; Nunes J; Bush JT; Evans JP; Werner T; Bantscheff M; Murphy JA; Campos S
    J Am Chem Soc; 2018 Jan; 140(3):932-939. PubMed ID: 29232121
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Kinetic Optimization of Lysine-Targeting Covalent Inhibitors of HSP72.
    Pettinger J; Carter M; Jones K; Cheeseman MD
    J Med Chem; 2019 Dec; 62(24):11383-11398. PubMed ID: 31725295
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Mechanistic and thermodynamic characterization of oxathiazolones as potent and selective covalent immunoproteasome inhibitors.
    Mihalovits LM; Ferenczy GG; Keserű GM
    Comput Struct Biotechnol J; 2021; 19():4486-4496. PubMed ID: 34471494
    [TBL] [Abstract][Full Text] [Related]  

  • 7. ONIOM calculations on serotonin degradation by monoamine oxidase B: insight into the oxidation mechanism and covalent reversible inhibition.
    Cakir K; Erdem SS; Atalay VE
    Org Biomol Chem; 2016 Oct; 14(39):9239-9252. PubMed ID: 27605388
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Covalent Proximity Scanning of a Distal Cysteine to Target PI3Kα.
    Borsari C; Keles E; McPhail JA; Schaefer A; Sriramaratnam R; Goch W; Schaefer T; De Pascale M; Bal W; Gstaiger M; Burke JE; Wymann MP
    J Am Chem Soc; 2022 Apr; 144(14):6326-6342. PubMed ID: 35353516
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Affinity and Selectivity Assessment of Covalent Inhibitors by Free Energy Calculations.
    Mihalovits LM; Ferenczy GG; Keserű GM
    J Chem Inf Model; 2020 Dec; 60(12):6579-6594. PubMed ID: 33295760
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Discovery of Novel PI3Kδ Inhibitors Based on the p110δ Crystal Structure.
    Jia W; Luo S; Zhao W; Xu W; Zhong Y; Kong D
    Molecules; 2022 Sep; 27(19):. PubMed ID: 36234743
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Prediction of binding modes and affinities of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide inhibitors to the carbonic anhydrase receptor by docking and ONIOM calculations.
    Samanta PN; Das KK
    J Mol Graph Model; 2016 Jan; 63():38-48. PubMed ID: 26619075
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Assessing Lysine and Cysteine Reactivities for Designing Targeted Covalent Kinase Inhibitors.
    Liu R; Yue Z; Tsai CC; Shen J
    J Am Chem Soc; 2019 Apr; 141(16):6553-6560. PubMed ID: 30945531
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Modeling the Binding and Conformational Energetics of a Targeted Covalent Inhibitor to Bruton's Tyrosine Kinase.
    Awoonor-Williams E; Rowley CN
    J Chem Inf Model; 2021 Oct; 61(10):5234-5242. PubMed ID: 34590480
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Computational modeling of the direct hydride transfer mechanism for the MAO catalyzed oxidation of phenethylamine and benzylamine: ONIOM (QM/QM) calculations.
    Akyüz MA; Erdem SS
    J Neural Transm (Vienna); 2013 Jun; 120(6):937-45. PubMed ID: 23619993
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Multiscale calculations reveal new insights into the reaction mechanism between KRAS
    Yan X; Qu C; Li Q; Zhu L; Tong HHY; Liu H; Ouyang Q; Yao X
    Comput Struct Biotechnol J; 2024 Dec; 23():1408-1417. PubMed ID: 38616962
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Covalent and non-covalent binding free energy calculations for peptidomimetic inhibitors of SARS-CoV-2 main protease.
    Awoonor-Williams E; Abu-Saleh AAA
    Phys Chem Chem Phys; 2021 Mar; 23(11):6746-6757. PubMed ID: 33711090
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Lysine-Targeting Covalent Inhibitors.
    Pettinger J; Jones K; Cheeseman MD
    Angew Chem Int Ed Engl; 2017 Nov; 56(48):15200-15209. PubMed ID: 28853194
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Computational study reveals substituted benzimidazole derivatives' binding selectivity to PI3Kδ and PI3Kγ.
    Zhang NN; Bai X; Zhao SS; Zheng XM; Tang L; Yang SG; Zhang JQ
    J Mol Model; 2022 Apr; 28(5):123. PubMed ID: 35438328
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Discovery and Computational Studies of Potent Covalent Kinase Inhibitors with α-Substituent Electrophiles Targeting Cysteine.
    Ai Y; Yang Z; Yang Z; Wan S; Huang C; Huang C; Li M; Li Z; Zhang J; Zhang T
    J Chem Inf Model; 2023 Jan; 63(2):493-506. PubMed ID: 36632804
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Reactivities of acrylamide warheads toward cysteine targets: a QM/ML approach to covalent inhibitor design.
    Danilack AD; Dickson CJ; Soylu C; Fortunato M; Rodde S; Munkler H; Hornak V; Duca JS
    J Comput Aided Mol Des; 2024 May; 38(1):21. PubMed ID: 38693331
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.