Ensemble docking and molecular dynamics identify knoevenagel curcumin derivatives with potent anti-EGFR activity

Author:

Yadav Inderjit S.,Nandekar Prajwal P.,Shrivastava Shambhavi,Sangamwar Abhay,Chaudhury Ashok,Agarwal Subhash Mohan

Publisher

Elsevier BV

Subject

Genetics,General Medicine

Reference41 articles.

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2. Curcumin and its analogues: potential anticancer agents;Agrawal;Med. Res. Rev.,2010

3. Synthesis, characterisation, and in vitro anticancer activity of curcumin analogues bearing pyrazole/pyrimidine ring targeting EGFR tyrosine kinase;Ahsan;Biomed. Res. Int.,2013

4. CASTp: computed atlas of surface topography of proteins;Binkowski;Nucleic Acids Res.,2003

5. The Amber biomolecular simulation programs;Case;J. Comput. Chem.,2005

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