World Journal of
Pharmaceutical and Life Sciences

An International Peer Reviewed Journal for Pharmaceutical and Life Sciences
An Official Publication of Society for Advance Healthcare Research (Reg. No. : 01/01/01/31674/16)
World Journal of Pharmaceutical and Life Sciences (WJPLS) has indexed with various reputed international bodies like : Google Scholar, Index Copernicus, Indian Science Publications, SOCOLAR, China, Cosmos Impact Factor, Research Bible, Fuchu, Tokyo. JAPAN, Scientific Indexing Services (SIS), Jour Informatics (Under Process), UDLedge Science Citation Index, Global Impact Factor (In Process), International Impact Factor Services, International Scientific Indexing, UAE, International Society for Research Activity (ISRA) Journal Impact Factor (JIF), Science Library Index, Dubai, United Arab Emirates, International Innovative Journal Impact Factor (IIJIF), Scientific Journal Impact Factor (SJIF), Eurasian Scientific Journal Index (ESJI), Indian citation Index (ICI), IFSIJ Measure of Journal Quality, International Scientific Indexing, UAE (ISI), 

Abstract

MOLECULE DYNAMICS STUDIES OF G3 PAMAM DENDRIMER CONJUGATED HO (III) DTPA-FOLIC ACID IN VACUUM AND AQUEOUS CONDITIONS AT 25 °C AND 37°C AS COMPOUND CONTRAST AGENT MAGNETIC RESONANCE IMAGING (MRI)

Danni Ramdhani*, Abdul Muthalib and Amir Musadad Miftah

ABSTRACT

Objective: Molecular modeling has been carried out G3 PAMAM dendrimer conjugated Holmium (III)-penta acetic acid diethylene triamin (DTPA) and folic acid in vacuum and aqueous conditions at 25 ° C and 37 ° C by using the program ChemBio 3D 12.0. This study aims to model the G3 PAMAM dendrimer molecules are conjugated with Holmium (III) CHX-A "-DTPA and folic acid, and study the stability of the model. These compound was expected to be used as MRI contrast compounds that specific for diagnostic cancer cells and also serve as a cancer therapy. Methods: Prior to molecular modeling and molecular dynamics studies, first performed Holmium parameterization for compounds that have not been found on the Chem 3D program. Parameterization, including bond lengths, bond angles, angles and force constants respectively. Further molecular modeling performed with the program chem draw and molecular dynamics calculations to see the value of the stability of the total energy and potential energy. Results: The results showed that molecular dynamics simulation obtained value of the potential energy and total energy of the compound conjugated PAMAM G3 Ho (III) DTPA and folic acid is more stable at 25 ° C in aqueous conditions.

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