Interaction analysis of hemin with antimalaria artemisinin groups through in-silico and in-vitro approach
Journal Title: Internet Journal of Medical Update - Year 2013, Vol 8, Issue 2
Abstract
WHO has recommended the treatment of malaria with Artemisia annua L. in combination with another drug called Artemisinin Combination based Therapy (ACT), to overcome multiple drug resistance malaria. Artemisinin is very effective against P falciparum. Artemisinin has problems like short plasma half-life, limitation of bioavailability, less solubility in both oil and water and it is obtained in small amounts from natural sources. This research aims to study the effectiveness of a drug in-silico with docking approach and in-vitro antimalarial test against hemin bioavailibilitas. Due to the chemical structures, physical-chemical properties, chemical reactivity and the ability of drugs to interact with the receptor depends on the electronic structure, composition and interactions of all electrons with molecules. From this study, interaction between hemin with antimalarial in-silico by docking approach indicates that artemisinin derivatives group artesunat (ARTS) has the lowest binding energy compared with other derivatives, and also the level of hydrogen bonding. The interaction of hemin with antimalarial through UV-Vis test showed that at a wavelength of 400 nm, ARTS has a lower free energy of interaction compared with other ligands artemether (ARTE) and artemisinin (ARTM). Analysis interactions of artemisinin compounds or their derivatives with hemin in in-vitro by spectrophotometric method are consistent with molecular mechanical calculations using molecular docking. This indicates that the interaction artesunat has a lower free energy compared with other ligands artemether and artemisinin (Arte and ARTM). The existence of a significant interaction between hemin with antimalarial artemisinin derivatives showed no different between in-silico and UV-Vis identification.
Authors and Affiliations
Surya Dwira, Fadilah , Aryo Tedjo
Keywords
Related Articles
- EP ID EP114996
- DOI -
- Views 113
- Downloads 0
Prevalence of cleft lip and palate in Brazilian children 2011 - 2015
Cleft lip and cleft palate are birth defects of complex etiology. The aim of this study was to evaluate the occurrence of cleft lip and palate in Brazilian children. An ecological and descriptive study, based on data fro...
APPLICATION OF NANOPARTICLES IN DIAGNOSTIC IMAGING VIA ULTRASONOGRAPHY
The effectiveness of an imaging technique not only depends on its ability to image quantitatively both morphological and physiological functions of the tissue, but also on the contrast agent used to communicate with biom...
Purple Urine Bag Syndrome: a case report
Purple urine bag syndrome (PUBS) is an uncommon phenomenon reported mostly in chronically constipated, institutionalized females on an indwelling catheter. It can often cause tremendous distress among health care provide...
ROLE OF ECHOGENIC AMNIOTIC FLUID PARTICLES AND OPTICAL DENSITY IN PREDICTION OF RESPIRATORY DISTRESS SYNDROME AND LABOR
This study was aimed to correlate echogenic amniotic fluid particle size (AFPS) in late third trimester to fetal lung maturity and amniotic fluid optical density (AFOD) at labor. AFPS were measured with specified criteri...
An Introduction to Medical Teaching by Kathryn N Huggett and William B Jeffries
None