Structure based investigation on the binding interaction of transport proteins in leishmaniasis: insights from molecular simulation

Molecular BioSystems
Shailza Singh, Vineetha Mandlik

Abstract

Leishmania major is the causative agent of cutaneous leishmaniasis which affects over 1 million people in 88 different countries. The incidence of this disease is on the rise due to the current problems associated with the present chemotherapeutics. In addition, Leishmania confronts resistance to the traditional drugs like sodium stibogluconate and newer repurposed drugs like miltefosine. ABC transporters are involved in the development of drug resistance. Miltefosine, the drug used for the treatment of leishmaniasis, is effluxed by P4 ATPase and ABC transporter, which is the prime focus of our study in this paper. P4 ATPase (MDR1) along with an unnamed protein (cdc50) translocates miltefosine from the outer to the inner leaflet by the process of flipping which is ATP driven. In contrast, miltefosine also escapes from the cells by an energy dependent mechanism that involves the ABC transporter protein (ABC). It is known that certain genes in the parasite amplify the portions of a gene which encodes ABC transporter and P4 ATPase involved in translocating phospholipids and hence resistance to miltefosine. We observed the ABC and P4 ATPase genes, 39 T-box elements were observed in the ABC transporter protein and three elements wer...Continue Reading

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Citations

Aug 2, 2016·The International Journal of Biochemistry & Cell Biology·Md Mostafizur RahmanAlaina J Ammit
Apr 22, 2017·Analytical Chemistry·Adam BelsomJuri Rappsilber
Mar 5, 2017·Essays in Biochemistry·Venkata Krishnan RamaswamyPaolo Ruggerone
Apr 15, 2017·International Journal of Medicinal Chemistry·Steven V MolinskiSaumel Ahmadi
Dec 2, 2020·Parasites & Vectors·Juvana Moreira AndradeSilvane Maria Fonseca Murta

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