141 related articles for article (PubMed ID: 35754875)
1. Computational identification of natural product inhibitors against EGFR double mutant (T790M/L858R) by integrating ADMET, machine learning, molecular docking and a dynamics approach.
Agarwal SM; Nandekar P; Saini R
RSC Adv; 2022 Jun; 12(26):16779-16789. PubMed ID: 35754875
[TBL] [Abstract][Full Text] [Related]
2. A systematic pipeline of protein structure selection for computer-aided drug discovery: A case study on T790M/L858R mutant EGFR structures.
Das AP; Nandekar P; Mathur P; Agarwal SM
Protein Sci; 2023 Sep; 32(9):e4740. PubMed ID: 37515373
[TBL] [Abstract][Full Text] [Related]
3. A Mechanistic Study of a Potent and Selective Epidermal Growth Factor Receptor Inhibitor against the L858R/T790M Resistance Mutation.
Akher FB; Farrokhzadeh A; Ravenscroft N; Kuttel MM
Biochemistry; 2019 Oct; 58(41):4246-4259. PubMed ID: 31589411
[TBL] [Abstract][Full Text] [Related]
4. Exploring binding stability of hydroxy-3-(4-hydroxyphenyl)-5-(4-nitrophenyl)-5,5a,7,8,9,9a-hexahydrothiazolo[2,3-b] quinazolin-6-one with T790M/L858R EGFR-TKD.
Mir SA; Nayak B
J Biomol Struct Dyn; 2023 May; 41(8):3702-3716. PubMed ID: 35343861
[TBL] [Abstract][Full Text] [Related]
5. JAK3 inhibitor VI is a mutant specific inhibitor for epidermal growth factor receptor with the gatekeeper mutation T790M.
Nishiya N; Sakamoto Y; Oku Y; Nonaka T; Uehara Y
World J Biol Chem; 2015 Nov; 6(4):409-18. PubMed ID: 26629323
[TBL] [Abstract][Full Text] [Related]
6. Computational studies of potent covalent inhibitors on wild type or T790M/L858R mutant epidermal growth factor receptor.
Yang Z; Yang H; Ai Y; Zhang L; Li Z; Wan S; Xu X; Zhang H; Wu S; Zhang J; Zhang T
Eur J Pharm Sci; 2020 Sep; 152():105463. PubMed ID: 32668314
[TBL] [Abstract][Full Text] [Related]
7. Insight into Discovery of Next Generation Reversible TMLR Inhibitors Targeting EGFR Activating and Drug Resistant T790M Mutants.
Agarwal SM; Pal D; Gupta M; Saini R
Curr Cancer Drug Targets; 2017; 17(7):617-636. PubMed ID: 28359250
[TBL] [Abstract][Full Text] [Related]
8. Uncovering the Mechanism of Drug Resistance Caused by the T790M Mutation in EGFR Kinase From Absolute Binding Free Energy Calculations.
Zhou H; Fu H; Liu H; Shao X; Cai W
Front Mol Biosci; 2022; 9():922839. PubMed ID: 35707225
[TBL] [Abstract][Full Text] [Related]
9. Machine Learning, Molecular Docking, and Dynamics-Based Computational Identification of Potential Inhibitors against Lung Cancer.
Das AP; Mathur P; Agarwal SM
ACS Omega; 2024 Jan; 9(4):4528-4539. PubMed ID: 38313551
[TBL] [Abstract][Full Text] [Related]
10. Molecular docking of novel 5-O-benzoylpinostrobin derivatives as wild type and L858R/T790M/V948R mutant EGFR inhibitor.
Pratama MRF; Poerwono H; Siswodihardjo S
J Basic Clin Physiol Pharmacol; 2019 Dec; 30(6):. PubMed ID: 31855568
[TBL] [Abstract][Full Text] [Related]
11. Computational identification of 2,4-disubstituted amino-pyrimidines as L858R/T790M-EGFR double mutant inhibitors using pharmacophore mapping, molecular docking, binding free energy calculation, DFT study and molecular dynamic simulation.
Pawara R; Ahmad I; Surana S; Patel H
In Silico Pharmacol; 2021; 9(1):54. PubMed ID: 34631361
[TBL] [Abstract][Full Text] [Related]
12. Rational Computational Design of Fourth-Generation EGFR Inhibitors to Combat Drug-Resistant Non-Small Cell Lung Cancer.
Park H; Jung HY; Kim K; Kim M; Hong S
Int J Mol Sci; 2020 Dec; 21(23):. PubMed ID: 33297461
[TBL] [Abstract][Full Text] [Related]
13. Computational screening, ensemble docking and pharmacophore analysis of potential gefitinib analogues against epidermal growth factor receptor.
Bommu UD; Konidala KK; Pamanji R; Yeguvapalli S
J Recept Signal Transduct Res; 2018 Feb; 38(1):48-60. PubMed ID: 29369008
[TBL] [Abstract][Full Text] [Related]
14. Structural insight into the binding mechanism of ATP to EGFR and L858R, and T790M and L858R/T790 mutants.
Saldaña-Rivera L; Bello M; Méndez-Luna D
J Biomol Struct Dyn; 2019 Oct; 37(17):4671-4684. PubMed ID: 30558477
[TBL] [Abstract][Full Text] [Related]
15. Gossypol Inhibits Non-small Cell Lung Cancer Cells Proliferation by Targeting EGFR
Wang Y; Lai H; Fan X; Luo L; Duan F; Jiang Z; Wang Q; Leung ELH; Liu L; Yao X
Front Pharmacol; 2018; 9():728. PubMed ID: 30038571
[No Abstract] [Full Text] [Related]
16. TMLRpred: A machine learning classification model to distinguish reversible EGFR double mutant inhibitors.
Saini R; Fatima S; Agarwal SM
Chem Biol Drug Des; 2020 Sep; 96(3):921-930. PubMed ID: 33058464
[TBL] [Abstract][Full Text] [Related]
17. Evaluation of Benzamide-Chalcone Derivatives as EGFR/CDK2 Inhibitor: Synthesis, In-Vitro Inhibition, and Molecular Modeling Studies.
Joshi A; Bhojwani H; Wagal O; Begwani K; Joshi U; Sathaye S; Kanchan D
Anticancer Agents Med Chem; 2022; 22(2):328-343. PubMed ID: 33858315
[TBL] [Abstract][Full Text] [Related]
18. Interaction and molecular dynamics simulation study of Osimertinib (AstraZeneca 9291) anticancer drug with the EGFR kinase domain in native protein and mutated L844V and C797S.
Assadollahi V; Rashidieh B; Alasvand M; Abdolahi A; Lopez JA
J Cell Biochem; 2019 Aug; 120(8):13046-13055. PubMed ID: 30916819
[TBL] [Abstract][Full Text] [Related]
19. Identification of novel drug-resistant EGFR mutant inhibitors by in silico screening using comprehensive assessments of protein structures.
Sato T; Watanabe H; Tsuganezawa K; Yuki H; Mikuni J; Yoshikawa S; Kukimoto-Niino M; Fujimoto T; Terazawa Y; Wakiyama M; Kojima H; Okabe T; Nagano T; Shirouzu M; Yokoyama S; Tanaka A; Honma T
Bioorg Med Chem; 2012 Jun; 20(12):3756-67. PubMed ID: 22607878
[TBL] [Abstract][Full Text] [Related]
20. Chemotherapy Drug Response to the L858R-induced Conformational Change of EGFR Activation Loop in Lung Cancer.
Ding X; Liu X; Song X; Yao J
Mol Inform; 2016 Oct; 35(10):529-537. PubMed ID: 27643705
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]