Structural investigations into the binding mode of a novel noscapine analogue, 9-(4-vinylphenyl) noscapine, with tubulin by biochemical analyses and molecular dynamic simulations

J Biomol Struct Dyn. 2017 Aug;35(11):2475-2484. doi: 10.1080/07391102.2016.1222969. Epub 2016 Aug 31.

Authors

Tejashree Mahaddalkar¹, Pradeep Kumar Naik², Sinjan Choudhary¹, Naresh Manchukonda³, Srinivas Kantevari³, Manu Lopus¹

Affiliations

¹ a Experimental Cancer Therapeutics and Chemical Biology, UM-DAE Centre for Excellence in Basic Sciences , University of Mumbai Kalina Campus , Santacruz (E), Mumbai 400098 , India.
² b Department of Biotechnology , Guru Ghasidas Central University , Bilaspur , Chattisgarh 495009 , India.
³ c Organic Chemistry Division-II (CPC Division) , CSIR-Indian Institute of Chemical Technology , Hyderabad , Telangana 500007 , India.

PMID: 27576773
DOI: 10.1080/07391102.2016.1222969

No abstract available

Keywords: 9-(4-vinylphenyl) noscapine; microtubules; molecular dynamic simulations; noscapine; tubulin isotypes; βIII tubulin.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Antitussive Agents / chemistry
Antitussive Agents / metabolism*
Humans
Microtubules / chemistry
Microtubules / metabolism
Models, Molecular*
Molecular Dynamics Simulation*
Noscapine / analogs & derivatives
Noscapine / chemistry
Noscapine / metabolism*
Protein Binding
Tubulin / chemistry
Tubulin / metabolism*

Substances

Antitussive Agents
Tubulin
Noscapine