189 related articles for article (PubMed ID: 34369509)
1. Rational design of selective HDAC2 inhibitors for liver cancer treatment: computational insights into the selectivity mechanism through molecular dynamics simulations and QM/MM calculations.
Yang Y; Hu B; Yang Y; Gong K; Wang H; Guo Q; Tang X; Li Y; Wang J
Phys Chem Chem Phys; 2021 Aug; 23(32):17576-17590. PubMed ID: 34369509
[TBL] [Abstract][Full Text] [Related]
2. Design of Potent Panobinostat Histone Deacetylase Inhibitor Derivatives: Molecular Considerations for Enhanced Isozyme Selectivity between HDAC2 and HDAC8.
Stoddard SV; May XA; Rivas F; Dodson K; Vijayan S; Adhika S; Parker K; Watkins DL
Mol Inform; 2019 Mar; 38(3):e1800080. PubMed ID: 30369061
[TBL] [Abstract][Full Text] [Related]
3. An insight into selective and potent inhibition of histone deacetylase 8 through induced-fit docking, pharmacophore modeling and QSAR studies.
Kashyap K; Kakkar R
J Biomol Struct Dyn; 2020 Jan; 38(1):48-65. PubMed ID: 30633630
[TBL] [Abstract][Full Text] [Related]
4. Exploring the potential binding sites of some known HDAC inhibitors on some HDAC8 conformers by docking studies.
Sixto-López Y; Gómez-Vidal JA; Correa-Basurto J
Appl Biochem Biotechnol; 2014 Aug; 173(7):1907-26. PubMed ID: 24888409
[TBL] [Abstract][Full Text] [Related]
5. Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
Marek M; Shaik TB; Heimburg T; Chakrabarti A; Lancelot J; Ramos-Morales E; Da Veiga C; Kalinin D; Melesina J; Robaa D; Schmidtkunz K; Suzuki T; Holl R; Ennifar E; Pierce RJ; Jung M; Sippl W; Romier C
J Med Chem; 2018 Nov; 61(22):10000-10016. PubMed ID: 30347148
[TBL] [Abstract][Full Text] [Related]
6. Covalent inhibition of histone deacetylase 8 by 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine.
Muth M; Jänsch N; Kopranovic A; Krämer A; Wössner N; Jung M; Kirschhöfer F; Brenner-Weiß G; Meyer-Almes FJ
Biochim Biophys Acta Gen Subj; 2019 Mar; 1863(3):577-585. PubMed ID: 30611847
[TBL] [Abstract][Full Text] [Related]
7. Thermodynamics of binding of structurally similar ligands to histone deacetylase 8 sheds light on challenges in the rational design of potent and isozyme-selective inhibitors of the enzyme.
Singh RK; Suzuki T; Mandal T; Balsubramanian N; Haldar M; Mueller DJ; Strode JA; Cook G; Mallik S; Srivastava DK
Biochemistry; 2014 Dec; 53(48):7445-58. PubMed ID: 25407689
[TBL] [Abstract][Full Text] [Related]
8. Novel urushiol derivatives as HDAC8 inhibitors: rational design, virtual screening, molecular docking and molecular dynamics studies.
Zhou H; Wang C; Deng T; Tao R; Li W
J Biomol Struct Dyn; 2018 Jun; 36(8):1966-1978. PubMed ID: 28632421
[TBL] [Abstract][Full Text] [Related]
9. Dynamic structure-based pharmacophore model development: a new and effective addition in the histone deacetylase 8 (HDAC8) inhibitor discovery.
Thangapandian S; John S; Lee Y; Kim S; Lee KW
Int J Mol Sci; 2011; 12(12):9440-62. PubMed ID: 22272142
[TBL] [Abstract][Full Text] [Related]
10. Delineating binding potential, stability of Sulforaphane-N-acetyl-cysteine in the active site of histone deacetylase 2 and testing its cytotoxicity against distinct cancer lines through stringent molecular dynamics, DFT and cell-based assays.
Ganai SA; Srinivasan P; Rajamanikandan S; Shah BA; Mohan S; Gani M; Padder BA; Qadri RA; Bhat MA; Baba ZA; Yatoo MA
Chem Biol Drug Des; 2021 Sep; 98(3):363-376. PubMed ID: 33966346
[TBL] [Abstract][Full Text] [Related]
11. Toward selective histone deacetylase inhibitor design: homology modeling, docking studies, and molecular dynamics simulations of human class I histone deacetylases.
Wang DF; Helquist P; Wiech NL; Wiest O
J Med Chem; 2005 Nov; 48(22):6936-47. PubMed ID: 16250652
[TBL] [Abstract][Full Text] [Related]
12. Discovery of novel potential selective HDAC8 inhibitors by combine ligand-based, structure-based virtual screening and in-vitro biological evaluation.
Debnath S; Debnath T; Bhaumik S; Majumdar S; Kalle AM; Aparna V
Sci Rep; 2019 Nov; 9(1):17174. PubMed ID: 31748509
[TBL] [Abstract][Full Text] [Related]
13. Structure of 'linkerless' hydroxamic acid inhibitor-HDAC8 complex confirms the formation of an isoform-specific subpocket.
Tabackman AA; Frankson R; Marsan ES; Perry K; Cole KE
J Struct Biol; 2016 Sep; 195(3):373-378. PubMed ID: 27374062
[TBL] [Abstract][Full Text] [Related]
14. Hydroxamates of para-aminobenzoic acid as selective inhibitors of HDAC8.
Kulandaivelu U; Chilakamari LM; Jadav SS; Rao TR; Jayaveera KN; Shireesha B; Hauser AT; Senger J; Marek M; Romier C; Jung M; Jayaprakash V
Bioorg Chem; 2014 Dec; 57():116-120. PubMed ID: 25462986
[TBL] [Abstract][Full Text] [Related]
15. Diarylcyclopropane hydroxamic acid inhibitors of histone deacetylase 4 designed by combinatorial approach and QM/MM calculations.
Kollar J; Frecer V
J Mol Graph Model; 2018 Oct; 85():97-110. PubMed ID: 30145395
[TBL] [Abstract][Full Text] [Related]
16. Discovery of meta-sulfamoyl N-hydroxybenzamides as HDAC8 selective inhibitors.
Zhao C; Zang J; Ding Q; Inks ES; Xu W; Chou CJ; Zhang Y
Eur J Med Chem; 2018 Apr; 150():282-291. PubMed ID: 29533873
[TBL] [Abstract][Full Text] [Related]
17. Mechanistic Exploration of Methionine 274 Acting as a "Switch" of the Selective Pocket Involved in HDAC8 Inhibition: An in Silico Study.
Yao P; Gao Q; Wang Y; Yao Q; Zhang J
ChemMedChem; 2021 Jun; 16(12):1933-1944. PubMed ID: 33686739
[TBL] [Abstract][Full Text] [Related]
18. Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting.
Hassan MM; Israelian J; Nawar N; Ganda G; Manaswiyoungkul P; Raouf YS; Armstrong D; Sedighi A; Olaoye OO; Erdogan F; Cabral AD; Angeles F; Altintas R; de Araujo ED; Gunning PT
J Med Chem; 2020 Aug; 63(15):8634-8648. PubMed ID: 32672458
[TBL] [Abstract][Full Text] [Related]
19. Exploring the binding mechanism of HDAC8 selective inhibitors: Lessons from the modification of Cap group.
Zhang M; Ying JB; Wang SS; He D; Zhu H; Zhang C; Tang L; Lin R; Zhang Y
J Cell Biochem; 2020 Jun; 121(5-6):3162-3172. PubMed ID: 31907955
[TBL] [Abstract][Full Text] [Related]
20. Discovery of a series of hydroximic acid derivatives as potent histone deacetylase inhibitors.
Zhang L; Wang X; Li X; Zhang L; Xu W
J Enzyme Inhib Med Chem; 2014 Aug; 29(4):582-9. PubMed ID: 24059701
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]