168 related articles for article (PubMed ID: 31701109)
1. Importance of a crystalline water network in docking-based virtual screening: a case study of BRD4.
Zhong H; Wang Z; Wang X; Liu H; Li D; Liu H; Yao X; Hou T
Phys Chem Chem Phys; 2019 Dec; 21(45):25276-25289. PubMed ID: 31701109
[TBL] [Abstract][Full Text] [Related]
2. In silico study directed towards identification of novel high-affinity inhibitors targeting an oncogenic protein: BRD4-BD1.
Tumdam R; Kumar A; Subbarao N; Balaji BS
SAR QSAR Environ Res; 2018 Dec; 29(12):975-996. PubMed ID: 30411639
[TBL] [Abstract][Full Text] [Related]
3. Molecular docking and dynamics simulation study of flavonoids as BET bromodomain inhibitors.
Raj U; Kumar H; Varadwaj PK
J Biomol Struct Dyn; 2017 Aug; 35(11):2351-2362. PubMed ID: 27494802
[TBL] [Abstract][Full Text] [Related]
4. Investigation of novel ligand targeting bromodomain-containing protein 4 (BRD4) for cancer drug discovery: complete pharmacophore approach.
Shanmugam V; Muthukrishnan S
J Biomol Struct Dyn; 2023; 41(23):14524-14539. PubMed ID: 36841551
[TBL] [Abstract][Full Text] [Related]
5. Structure-based virtual screening of novel, high-affinity BRD4 inhibitors.
Muvva C; Singam ER; Raman SS; Subramanian V
Mol Biosyst; 2014 Jul; 10(9):2384-97. PubMed ID: 24976024
[TBL] [Abstract][Full Text] [Related]
6. Pharmacophore-based virtual screening, molecular docking, molecular dynamics simulation, and biological evaluation for the discovery of novel BRD4 inhibitors.
Yan G; Hou M; Luo J; Pu C; Hou X; Lan S; Li R
Chem Biol Drug Des; 2018 Feb; 91(2):478-490. PubMed ID: 28901664
[TBL] [Abstract][Full Text] [Related]
7. Acetyl-lysine binding site of bromodomain-containing protein 4 (BRD4) interacts with diverse kinase inhibitors.
Ember SW; Zhu JY; Olesen SH; Martin MP; Becker A; Berndt N; Georg GI; Schönbrunn E
ACS Chem Biol; 2014 May; 9(5):1160-71. PubMed ID: 24568369
[TBL] [Abstract][Full Text] [Related]
8. Discovery of novel BRD4-BD2 inhibitors via in silico approaches: QSAR techniques, molecular docking, and molecular dynamics simulations.
Tong JB; Xiao XC; Luo D; Xu HY; Xing YC; Gao P; Liu Y
Mol Divers; 2024 Apr; 28(2):671-692. PubMed ID: 36773087
[TBL] [Abstract][Full Text] [Related]
9. Identification of novel natural product inhibitors of BRD4 using high throughput virtual screening and MD simulation.
Barman S; Sahoo SS; Padhan J; Sudhamalla B
J Biomol Struct Dyn; 2023 Dec; 41(20):10569-10581. PubMed ID: 36524430
[TBL] [Abstract][Full Text] [Related]
10. Covalent-Fragment Screening of BRD4 Identifies a Ligandable Site Orthogonal to the Acetyl-Lysine Binding Sites.
Olp MD; Sprague DJ; Goetz CJ; Kathman SG; Wynia-Smith SL; Shishodia S; Summers SB; Xu Z; Statsyuk AV; Smith BC
ACS Chem Biol; 2020 Apr; 15(4):1036-1049. PubMed ID: 32149490
[TBL] [Abstract][Full Text] [Related]
11. Structure investigation, enrichment analysis and structure-based repurposing of FDA-approved drugs as inhibitors of BET-BRD4.
Wakchaure P; Velayutham R; Roy KK
J Biomol Struct Dyn; 2019 Aug; 37(12):3048-3057. PubMed ID: 30079805
[TBL] [Abstract][Full Text] [Related]
12. Pyronaridine as a Bromodomain-Containing Protein 4-
Ibrahim MAA; Abdelhamid MMH; Abdeljawaad KAA; Abdelrahman AHM; Mekhemer GAH; Sidhom PA; Sayed SRM; Paré PW; Hegazy MF; Shoeib T
Molecules; 2023 Jul; 28(15):. PubMed ID: 37570684
[TBL] [Abstract][Full Text] [Related]
13. The binding mechanism of NHWD-870 to bromodomain-containing protein 4 based on molecular dynamics simulations and free energy calculation.
Shi M; He J; Weng T; Shi N; Qi W; Guo Y; Chen T; Chen L; Xu D
Phys Chem Chem Phys; 2022 Feb; 24(8):5125-5137. PubMed ID: 35156677
[TBL] [Abstract][Full Text] [Related]
14. NMR-based platform for fragment-based lead discovery used in screening BRD4-targeted compounds.
Yu JL; Chen TT; Zhou C; Lian FL; Tang XL; Wen Y; Shen JK; Xu YC; Xiong B; Zhang NX
Acta Pharmacol Sin; 2016 Jul; 37(7):984-93. PubMed ID: 27238211
[TBL] [Abstract][Full Text] [Related]
15. A computational insight into binding modes of inhibitors XD29, XD35, and XD28 to bromodomain-containing protein 4 based on molecular dynamics simulations.
Su J; Liu X; Zhang S; Yan F; Zhang Q; Chen J
J Biomol Struct Dyn; 2018 Apr; 36(5):1212-1224. PubMed ID: 28466681
[TBL] [Abstract][Full Text] [Related]
16. SARS-CoV-2 envelope protein attain K
Agrahari AK; Srivastava M; Singh M; Asthana S
J Biomol Struct Dyn; 2023; 41(24):15305-15319. PubMed ID: 36907648
[TBL] [Abstract][Full Text] [Related]
17. Development of 4,5-dihydro-benzodiazepinone derivatives as a new chemical series of BRD4 inhibitors.
Li J; Wang P; Zhou B; Shi J; Liu J; Li X; Fan L; Zheng Y; Ouyang L
Eur J Med Chem; 2016 Oct; 121():294-299. PubMed ID: 27266999
[TBL] [Abstract][Full Text] [Related]
18. Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Duffy BC; Liu S; Martin GS; Wang R; Hsia MM; Zhao H; Guo C; Ellis M; Quinn JF; Kharenko OA; Norek K; Gesner EM; Young PR; McLure KG; Wagner GS; Lakshminarasimhan D; White A; Suto RK; Hansen HC; Kitchen DB
Bioorg Med Chem Lett; 2015 Jul; 25(14):2818-23. PubMed ID: 26022843
[TBL] [Abstract][Full Text] [Related]
19. Binding Kinetics versus Affinities in BRD4 Inhibition.
Kuang M; Zhou J; Wang L; Liu Z; Guo J; Wu R
J Chem Inf Model; 2015 Sep; 55(9):1926-35. PubMed ID: 26263125
[TBL] [Abstract][Full Text] [Related]
20. Binding Mechanism of Inhibitors to BRD4 and BRD9 Decoded by Multiple Independent Molecular Dynamics Simulations and Deep Learning.
Wang J; Yang W; Zhao L; Wei B; Chen J
Molecules; 2024 Apr; 29(8):. PubMed ID: 38675678
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
