Albany 2019: 20th Conversation - Abstracts

category image Albany 2019
Conversation 20
June 11-15 2019
Adenine Press (2019)

Elucidating the molecular interaction of Noscapine with Bovine Serum Albumin (BSA): Spectroscopic and Molecular Dynamics Approach

The interaction of the drug with serum albumin forms an integral part of the pharmacokinetic profile of the drug. The present study employed various spectroscopic techniques i.e., fluorescence, UV-Visible and circular dichroism and molecular dynamics approach to investigate the mechanism of interaction of an anti-cancer drug, Noscapine (Ns) with Bovine Serum Albumin (BSA). Ns binding to BSA leads to the quenching of intrinsic fluorescence of BSA, and the mechanism was a static one. The CD spectra showed that Ns binding to BSA leads to a loss of alpha helicity of the protein. The FT-IR spectra further confirmed the changes in secondary structure of BSA upon interacting with Ns. The in vitro results were validated with molecular docking and dynamics techniques. Molecular docking showed strong interactions with a high score. Molecular dynamics simulation analysis also suggested the stable binding with lower deviation in RMSD and RMSF values through persistent long simulation run. The findings thus obtained were in good relation with the spectroscopic data. These results suggest the optimal diffusion of Ns into the bloodstream for the treatment of cancer.


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Chhaya Chaudhary
Damini Sood and
Ramesh Chandra

Department of Chemistry
University of Delhi,
Delhi 110007, India

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