EUROPEAN JOURNAL OF
PHARMACEUTICAL AND MEDICAL RESEARCH

An International Peer Reviewed Journal for Pharmaceutical, Medical & Biological Sciences

An Official Publication of Society for Advance Healthcare Research (Reg. No. : 01/01/01/31674/16)

European Journal of Pharmaceutical and Medical Research (EJPMR) has indexed with various reputed international bodies like : Google Scholar , Indian Science Publications , InfoBase Index (In Process) , SOCOLAR, China , Research Bible, Fuchu, Tokyo. JAPAN , International Society for Research activity (ISRA) , Scientific Indexing Services (SIS) , Polish Scholarly Bibliography , Global Impact Factor (GIF) (Under Process) , Universal Impact Factor , International Scientific Indexing (ISI), UAE  , Index Copernicus , CAS (A Division of American Chemical Society) USA (Under Process) , Directory of Open Access Journal (DOAJ, Sweden, in process) , UDLedge Science Citation Index , CiteFactor , Directory Of Research Journal Indexing (DRJI) , Indian citation Index (ICI) , Journal Index (JI, Under Process) , Directory of abstract indexing for Journals (DAIJ) , Open Access Journals (Under Process) , Impact Factor Services For International Journals (IFSIJ) , Cosmos Impact Factor , Jour Informatics (Under Process) , Eurasian Scientific Journal Index (ESJI) , International Innovative Journal Impact Factor (IIJIF) , Science Library Index, Dubai, United Arab Emirates , Pubmed Database [NLM ID: 101669306] (Under Process) , IP Indexing (IP Value 2.40) , Web of Science Group (Under Process) , Directory of Research Journals Indexing , 

 ISSN 2394-3211

Impact Factor: 6.222

 ICV - 79.57

Abstract

EVALUATION OF THE DRUG DELIVERY POTENTIAL OF CHITOSAN NANOPARTICLES CARRYING DOXORUBICIN AND QUERCETIN USING MOLECULAR MODELLING

Chaitra K., Durai Ananda Kumar T., Subba Rao V. Madhupantula and Asha Srinivasan*

ABSTRACT

Chitosan nanoparticles offers a versatile biocompatible drug delivery system for several drugs. The interaction of nanoparticles with the drug molecules and the energy involved in the stabilization decides the efficiency of drug delivery systems. Molecular dynamic simulations provide the conformational stability analysis for the nanoparticles-drug complex. In our study the interaction between the chitosan nanoparticles and the drugs doxorubicin and quercetin is studied. The atomic level confirmational stability between chitosan nanoparticles and drugs was demonstrated by the hydrogen bonds and π-π stacking interactions. The polar score for doxorubicin (2.2347 kcal/mol) with chitosan nanoparticles, doxorubicin with quercetin loaded chitosan nanoparticles (2.12 kcal/mol), quercetin with chitosan nanoparticles (1.27 kcal/mol) and quercetin with doxorubicin loaded chitosan nanoparticles (3.79 kcal/mol) is suggestive of spontaneous interactions and the complex is more stable. Molecular docking studies of doxorubicin and quercetin on the three-dimensional structures of P-gp (PDB-IDs: 6A6M and 6A6N) revealed the mechanism for the improved bioavailability of doxorubicin by quercetin. Quercetin established interaction with P-gp occurred through Mg2+ ion and Ser485, which is essential for the transport. Overall, the computational analysis suggests that chitosan nanoparticle as a potential nanocarrier for doxorubicin, and can be used for drug delivery systems.

Keywords: Chitosan nanoparticles, Doxorubicin, Quercetin, Molecular dynamics simulation, P-glycoprotein.


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Google Scholar Indian Science Publications InfoBase Index (In Process) SOCOLAR, China Research Bible, Fuchu, Tokyo. JAPAN International Society for Research activity (ISRA) Scientific Indexing Services (SIS) Polish Scholarly Bibliography Global Impact Factor (GIF) (Under Process) Universal Impact Factor International Scientific Indexing (ISI), UAE Index Copernicus CAS (A Division of American Chemical Society) USA (Under Process) Directory of Open Access Journal (DOAJ, Sweden, in process) UDLedge Science Citation Index CiteFactor Directory Of Research Journal Indexing (DRJI) Indian citation Index (ICI) Journal Index (JI, Under Process) Directory of abstract indexing for Journals (DAIJ) Open Access Journals (Under Process) Impact Factor Services For International Journals (IFSIJ) Cosmos Impact Factor Jour Informatics (Under Process) Eurasian Scientific Journal Index (ESJI) International Innovative Journal Impact Factor (IIJIF) Science Library Index, Dubai, United Arab Emirates Pubmed Database [NLM ID: 101669306] (Under Process) IP Indexing (IP Value 2.40) Web of Science Group (Under Process) Directory of Research Journals Indexing