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 110
- Downloads 0
Role of leptin and adiponectin in gestational diabetes mellitus: a study in a North Indian tertiary care hospital
Gestational Diabetes Mellitus (GDM) exposes women to a higher risk for development of type 2 diabetes mellitus in later years of life. Newborns of mothers with GDM are at increased risk for acute perinatal complications...
Study on the attitude of “Tomorrow’s Doctors” towards mental illness: A cross-sectional study
Different studies show different attitudes towards mental illness among medical students. This study was initiated to explore the attitude towards mental illness among medical students in a medical college of Manipur. A...
TREATMENT TO TARGETS IN TYPE 2 DIABETICS: ANALYSIS OF OUT-PATIENTS PRACTICE AT A REMOTE WESTERN NIGERIAN HOSPITAL
Diabetes mellitus (DM) is a leading cause of morbidity and mortality all over the world. Tight control of diabetes in the outpatients will reduce complications and hospitalizations. This study of Nigerian patients with d...
Authorship
STUDY OF HEALTH STATUS AND ETIOLOGICAL FACTORS OF MENTALLY CHALLENGED CHILDREN IN A SCHOOL FOR MENTALLY CHALLENGED IN MAHARASHTRA
The mental health of the child affects his physical health and the learning process. The present study was conducted to study the health status and etiological factors among 58 mentally challenged children in a school fo...