9-Arylimino noscapinoids as potent tubulin binding anticancer agent: chemical synthesis and cellular evaluation against breast tumour cells

  title={9-Arylimino noscapinoids as potent tubulin binding anticancer agent: chemical synthesis and cellular evaluation against breast tumour cells},
  author={Akul K. Patel and Rajesh Kumar Meher and P.K. Nagireddy and Pratyush Pragyandipta and Ravi Kumar Pedapati and Srinivas Kantevari and Pradeep Kumar Naik},
  journal={SAR and QSAR in Environmental Research},
  pages={269 - 291}
ABSTRACT A library of 9-arylimino derivatives of noscapine was developed by coupling of Schiff base containing imine groups. Virtual screening using molecular docking with tubulin revealed three molecules, 12–14 that bind with high affinity. An improved predicted free energy of binding (FEB) of −5.390, −6.506 and −6.679 kcal/mol for the molecules 12–14 was found compared to noscapine (−5.135 kcal/mol). Furthermore, molecular dynamics simulation in combination with Molecular Mechanics Poisson… 
1 Citations
Structure Based Design of Tubulin Binding 9-Arylimino Noscapinoids: Chemical Synthesis and Experimental Validation Against Breast Cancer Cell Lines
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