172 related articles for article (PubMed ID: 30955452)
1. Designing of benzothiazole derivatives as promising EGFR tyrosine kinase inhibitors: a pharmacoinformatics study.
Shahare HV; Talele GS
J Biomol Struct Dyn; 2020 Mar; 38(5):1365-1374. PubMed ID: 30955452
[TBL] [Abstract][Full Text] [Related]
2. DFT, molecular docking and molecular dynamics simulation studies on some recent natural products revealing their EGFR tyrosine kinase inhibition potential.
Erdogan T; Oguz Erdogan F
J Biomol Struct Dyn; 2024 Apr; 42(6):2942-2956. PubMed ID: 37144731
[TBL] [Abstract][Full Text] [Related]
3. Identification of potential edible spices as EGFR and EGFR mutant T790M/L858R inhibitors by structure-based virtual screening and molecular dynamics.
Ahmad Ansari I; Debnath B; Kar S; Patel HM; Debnath S; Zaki MEA; Pal P
J Biomol Struct Dyn; 2024 Mar; 42(5):2464-2481. PubMed ID: 37349948
[TBL] [Abstract][Full Text] [Related]
4. Targeting EGFR tyrosine kinase: Synthesis, in vitro antitumor evaluation, and molecular modeling studies of benzothiazole-based derivatives.
Mokhtar AM; El-Messery SM; Ghaly MA; Hassan GS
Bioorg Chem; 2020 Nov; 104():104259. PubMed ID: 32919134
[TBL] [Abstract][Full Text] [Related]
5. Identification of promising anti-DNA gyrase antibacterial compounds using
Islam MA; Pillay TS
J Biomol Struct Dyn; 2020 Apr; 38(6):1798-1809. PubMed ID: 31084271
[TBL] [Abstract][Full Text] [Related]
6. Novel scaffold hopping of potent benzothiazole and isatin analogues linked to 1,2,3-triazole fragment that mimic quinazoline epidermal growth factor receptor inhibitors: Synthesis, antitumor and mechanistic analyses.
Rezki N; Almehmadi MA; Ihmaid S; Shehata AM; Omar AM; Ahmed HEA; Aouad MR
Bioorg Chem; 2020 Oct; 103():104133. PubMed ID: 32745759
[TBL] [Abstract][Full Text] [Related]
7. Structure-Based Drug Design Studies Toward the Discovery of Novel Chalcone Derivatives as Potential Epidermal Growth Factor Receptor (EGFR) Inhibitors.
Al-Anazi M; Al-Najjar BO; Khairuddean M
Molecules; 2018 Dec; 23(12):. PubMed ID: 30563058
[TBL] [Abstract][Full Text] [Related]
8. Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors.
Hu Y; Zhou L; Zhu X; Dai D; Bao Y; Qiu Y
J Biomol Struct Dyn; 2019 Jul; 37(10):2703-2715. PubMed ID: 30052133
[TBL] [Abstract][Full Text] [Related]
9. Structure-based virtual screening and molecular dynamics simulations for detecting novel candidates for allosteric inhibition of EGFRT790M.
Çoban G
J Biomol Struct Dyn; 2024; 42(2):571-597. PubMed ID: 37029759
[TBL] [Abstract][Full Text] [Related]
10. Imidazole[1,5-a]pyridine derivatives as EGFR tyrosine kinase inhibitors unraveled by umbrella sampling and steered molecular dynamics simulations.
Truong DT; Ho K; Nhi HTY; Nguyen VH; Dang TT; Nguyen MT
Sci Rep; 2024 May; 14(1):12218. PubMed ID: 38806555
[TBL] [Abstract][Full Text] [Related]
11. Identification and exploration of quinazoline-1,2,3-triazole inhibitors targeting EGFR in lung cancer.
Kumar S; Sengupta S; Ali I; Gupta MK; Lalhlenmawia H; Azizov S; Kumar D
J Biomol Struct Dyn; 2023; 41(21):11353-11372. PubMed ID: 37114510
[TBL] [Abstract][Full Text] [Related]
12. Molecular dynamics, MM/PBSA and in vitro validation of a novel quinazoline-based EGFR tyrosine kinase inhibitor identified using structure-based in silico screening.
Ornnork N; Kiriwan D; Lirdprapamongkol K; Choowongkomon K; Svasti J; Eurtivong C
J Mol Graph Model; 2020 Sep; 99():107639. PubMed ID: 32534372
[TBL] [Abstract][Full Text] [Related]
13. Identification of Vinyl Sulfone Derivatives as EGFR Tyrosine Kinase Inhibitor: In Vitro and In Silico Studies.
Aiebchun T; Mahalapbutr P; Auepattanapong A; Khaikate O; Seetaha S; Tabtimmai L; Kuhakarn C; Choowongkomon K; Rungrotmongkol T
Molecules; 2021 Apr; 26(8):. PubMed ID: 33921332
[TBL] [Abstract][Full Text] [Related]
14. Mushrooms are potential foods against cancer: identified by molecular docking and molecular dynamics simulation.
Debnath S; Sen D
Nat Prod Res; 2022 May; 36(10):2604-2609. PubMed ID: 33974466
[TBL] [Abstract][Full Text] [Related]
15. Molecular Modeling, Docking, Dynamics and Simulation of Gefitinib and its Derivatives with EGFR in Non-small Cell Lung Cancer.
Reddy PS; Lokhande KB; Nagar S; Reddy VD; Murthy PS; Swamy KV
Curr Comput Aided Drug Des; 2018; 14(3):246-252. PubMed ID: 29493460
[TBL] [Abstract][Full Text] [Related]
16. Pharmacoinformatics-based identification of anti-bacterial catalase-peroxidase enzyme inhibitors.
Jangam CS; Bhowmick S; Chorge RD; Bharatrao LD; Patil PC; Chikhale RV; AlFaris NA; ALTamimi JZ; Wabaidur SM; Islam MA
Comput Biol Chem; 2019 Dec; 83():107136. PubMed ID: 31630014
[TBL] [Abstract][Full Text] [Related]
17. Ligand-Based Pharmacophore Modeling, Molecular Docking, and Molecular Dynamic Studies of Dual Tyrosine Kinase Inhibitor of EGFR and VEGFR2.
Sangande F; Julianti E; Tjahjono DH
Int J Mol Sci; 2020 Oct; 21(20):. PubMed ID: 33096664
[TBL] [Abstract][Full Text] [Related]
18. Identification of potent EGFR-TKD inhibitors from NPACT database through combined computational approaches.
Mir SA; Muhammad A; Padhiary A; Ekka NJ; Baitharu I; Naik PK; Nayak B
J Biomol Struct Dyn; 2023; 41(21):12063-12076. PubMed ID: 36695102
[TBL] [Abstract][Full Text] [Related]
19. Discovery of tyrosine kinase inhibitors by docking into an inactive kinase conformation generated by molecular dynamics.
Zhao H; Huang D; Caflisch A
ChemMedChem; 2012 Nov; 7(11):1983-90. PubMed ID: 22976951
[TBL] [Abstract][Full Text] [Related]
20. Theoretical evaluation of EGFR kinase inhibition and toxicity of di-indol-3-yl disulphides with anti-cancer potency.
Żołek T; Trzeciak A; Maciejewska D
J Biomol Struct Dyn; 2022 Feb; 40(2):622-634. PubMed ID: 32880212
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]