Molecular docking and dynamic simulation to identify potential phytocompound inhibitors for EGFR and HER2 as anti-breast cancer agents.

作者: H. Prabhavathi , K. R. Dasegowda , K. H. Renukananda , Prashantha Karunakar , K. Lingaraju

DOI: 10.1080/07391102.2020.1861982

关键词:

摘要: … dynamic studies with EGFR and HER2. The present study aims to identify a common potential phytocompound inhibitor for EGFR and HER2 as an anti-breast cancer compound by in …

参考文章(20)
M Greenwell, PKSM Rahman, Medicinal Plants: Their Use in Anticancer Treatment. International Journal of Pharmaceutical Sciences and Research. ,vol. 6, pp. 4103- 4112 ,(2015) , 10.13040/IJPSR.0975-8232.6(10).4103-12
Elizabeth Barratt, Richard J. Bingham, Daniel J. Warner, Charles A. Laughton, Simon E. V. Phillips, Steve W. Homans, Van der Waals interactions dominate ligand-protein association in a protein binding site occluded from solvent water. Journal of the American Chemical Society. ,vol. 127, pp. 11827- 11834 ,(2005) , 10.1021/JA0527525
Ying-Chi Lin, Chia-Chi Wang, Chun-Wei Tung, An in silico toxicogenomics approach for inferring potential diseases associated with maleic acid Chemico-Biological Interactions. ,vol. 223, pp. 38- 44 ,(2014) , 10.1016/J.CBI.2014.09.004
Pushpendra Singh, Felix Bast, In silico molecular docking study of natural compounds on wild and mutated epidermal growth factor receptor Medicinal Chemistry Research. ,vol. 23, pp. 5074- 5085 ,(2014) , 10.1007/S00044-014-1090-1
Isabella A. Guedes, Camila S. de Magalhães, Laurent E. Dardenne, Receptor–ligand molecular docking Biophysical Reviews. ,vol. 6, pp. 75- 87 ,(2014) , 10.1007/S12551-013-0130-2
Nida Iqbal, Naveed Iqbal, Human Epidermal Growth Factor Receptor 2 (HER2) in Cancers: Overexpression and Therapeutic Implications Molecular Biology International. ,vol. 2014, pp. 852748- 852748 ,(2014) , 10.1155/2014/852748
Shruti Rakesh Tiwari, Prasun Mishra, Jame Abraham, Neratinib, A Novel HER2-Targeted Tyrosine Kinase Inhibitor Clinical Breast Cancer. ,vol. 16, pp. 344- 348 ,(2016) , 10.1016/J.CLBC.2016.05.016
Jung Min Song, Arunkumar Anandharaj, Pramod Upadhyaya, Ameya R Kirtane, Jong-Hyuk Kim, Kwon Ho Hong, Jayanth Panyam, Fekadu Kassie, None, Honokiol suppresses lung tumorigenesis by targeting EGFR and its downstream effectors. Oncotarget. ,vol. 7, pp. 57752- 57769 ,(2016) , 10.18632/ONCOTARGET.10759
Nivya James, K. Ramanathan, Ligand-Based Pharmacophore Screening Strategy: a Pragmatic Approach for Targeting HER Proteins. Applied Biochemistry and Biotechnology. ,vol. 186, pp. 85- 108 ,(2018) , 10.1007/S12010-018-2724-4