116 related articles for article (PubMed ID: 38425011)
1. Discovery of novel bromodomain-containing protein 4 (BRD4-BD1) inhibitors combined with 3d-QSAR, molecular docking and molecular dynamics in silico.
Liu R; Chen X; Li J; Liu X; Shu M
J Biomol Struct Dyn; 2024 Feb; ():1-18. PubMed ID: 38425011
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Identification of potent BRD4-BD1 inhibitors using classical and steered molecular dynamics based free energy analysis.
Gupta A; Purohit R
J Cell Biochem; 2024 Mar; 125(3):e30532. PubMed ID: 38317535
[TBL] [Abstract][Full Text] [Related]
4. In silico research on new sulfonamide derivatives as BRD4 inhibitors targeting acute myeloid leukemia using various computational techniques including 3D-QSAR, HQSAR, molecular docking, ADME/Tox, and molecular dynamics.
Belghalia E; Ouabane M; El Bahi S; Rehman HM; Sbai A; Lakhlifi T; Bouachrine M
J Biomol Struct Dyn; 2023 Sep; ():1-19. PubMed ID: 37656159
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. 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]
7.
Shirvani P; Fassihi A
J Biomol Struct Dyn; 2022 Aug; 40(13):5965-5982. PubMed ID: 33475043
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Probing the binding mechanism of substituted pyridine derivatives as effective and selective lysine-specific demethylase 1 inhibitors using 3D-QSAR, molecular docking and molecular dynamics simulations.
Wang ZZ; Yang J; Sun XD; Ma CY; Gao QB; Ding L; Liu HM
J Biomol Struct Dyn; 2019 Aug; 37(13):3482-3495. PubMed ID: 30175693
[TBL] [Abstract][Full Text] [Related]
10. Development of novel monoamine oxidase B (MAO-B) inhibitors by combined application of docking-based alignment, 3D-QSAR, ADMET prediction, molecular dynamics simulation, and MM_GBSA binding free energy.
El Aissouq A; Chedadi O; Bouachrine M; Ouammou A; Khalil F
J Biomol Struct Dyn; 2023 Jul; 41(10):4667-4680. PubMed ID: 35510607
[TBL] [Abstract][Full Text] [Related]
11. Computational study on the selective inhibition mechanism of MS402 to the first and second bromodomains of BRD4.
Wang Q; Li Y; Xu J; Wang Y; Shi D; Liu L; Leung EL; Yao X
Proteins; 2019 Jan; 87(1):3-11. PubMed ID: 30260047
[TBL] [Abstract][Full Text] [Related]
12. Computational investigation of imidazo[2,1-b]oxazole derivatives as potential mutant BRAF kinase inhibitors: 3D-QSAR, molecular docking, molecular dynamics simulation, and ADMETox studies.
Boutalaka M; El Bahi S; Alaqarbeh M; El Alaouy MA; Koubi Y; Khatabi KE; Maghat H; Bouachrine M; Lakhlifi T
J Biomol Struct Dyn; 2024 Jul; 42(10):5268-5287. PubMed ID: 37424193
[TBL] [Abstract][Full Text] [Related]
13. Investigations of Structural Requirements for BRD4 Inhibitors through Ligand- and Structure-Based 3D QSAR Approaches.
Tahir A; Alharthy RD; Naseem S; Mahmood N; Ahmed M; Shahzad K; Akhtar MN; Hameed A; Sadiq I; Nawaz H; Muddassar M
Molecules; 2018 Jun; 23(7):. PubMed ID: 29941841
[TBL] [Abstract][Full Text] [Related]
14. Theoretically exploring selective-binding mechanisms of BRD4 through integrative computational approaches.
Luo D; Tong JB; Xiao XC; Bian S; Zhang X; Wang J; Xu HY
SAR QSAR Environ Res; 2021 Dec; 32(12):985-1011. PubMed ID: 34845959
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Binding selectivity of inhibitors toward the first over the second bromodomain of BRD4: theoretical insights from free energy calculations and multiple short molecular dynamics simulations.
Wang Y; Wu S; Wang L; Yang Z; Zhao J; Zhang L
RSC Adv; 2020 Dec; 11(2):745-759. PubMed ID: 35423696
[TBL] [Abstract][Full Text] [Related]
17. Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.
Ma J; Chen H; Yang J; Yu Z; Huang P; Yang H; Zheng B; Liu R; Li Q; Hu G; Chen Z
Bioorg Med Chem; 2019 May; 27(9):1871-1881. PubMed ID: 30926312
[TBL] [Abstract][Full Text] [Related]
18. Structural variation of protein-ligand complexes of the first bromodomain of BRD4.
Guest EE; Pickett SD; Hirst JD
Org Biomol Chem; 2021 Jun; 19(25):5632-5641. PubMed ID: 34105560
[TBL] [Abstract][Full Text] [Related]
19. 3D-QSAR, docking and molecular dynamics simulations of novel Pyrazolo-pyridazinone derivatives as covalent inhibitors of FGFR1: a scientific approach for possible anticancer agents.
Hamza S; Abid A; Khanum A; Chohan TA; Saleem H; Maqbool Khan K; Khurshid U; Butt J; Anwar S; Alafnan A; Ansari SA; Qayyum A; Raza A; Chohan TA
J Biomol Struct Dyn; 2024 Mar; 42(5):2242-2256. PubMed ID: 37211823
[TBL] [Abstract][Full Text] [Related]
20. 3D-QSAR, molecular docking, and molecular dynamics analysis of dihydrodiazaindolone derivatives as PARP-1 inhibitors.
Zhao J; Yu N; Zhao X; Quan W; Shu M
J Mol Model; 2023 Apr; 29(5):131. PubMed ID: 37020092
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
