Molecular Docking Studies on Streptomycin Antileishmanial Activity  

作　　者：Todd A. Young Matthew George Jr. Ayele Gugssa William M. Southerland Yayin Fang Clarence M. Lee Todd A. Young;Matthew George Jr.;Ayele Gugssa;William M. Southerland;Yayin Fang;Clarence M. Lee(Department of Biology, Howard University, Washington, DC, United States;Department of Biochemistry and Molecular Biology, Howard University, Washington, DC, United States)

机构地区：[1]Department of Biology, Howard University, Washington, DC, United States [2]Department of Biochemistry and Molecular Biology, Howard University, Washington, DC, United States

出　　处：《Open Journal of Physical Chemistry》2024年第2期36-48,共13页物理化学期刊（英文）

摘　　要：Resistance to pentavalent antimonial drugs and the lack of vaccines make it urgent to find novel therapeutic options to treat Leishmaniasis, a tropical disease caused by the Leishmania protozoan parasite. The study reported here is to investigate if Streptomycin, an aminoglycoside, and Amphotericin B, the second-line treatment drug, exhibit antileishmanial activity through a similar mechanism. By using MOE (Molecular Operating Environment), we performed molecular docking studies on these drugs binding to a range of targets including ribosome targets in Leishmania and H. sapiens. Our study shows that the two drugs do not bind to the same pockets in Leishmania targets but to the same pockets in the human ribosome, with some differences in interactions. Moreover, our 2D maps indicated that Amphotericin B binds to the A-site in the human cytoplasmic ribosome, whereas streptomycin does not.Resistance to pentavalent antimonial drugs and the lack of vaccines make it urgent to find novel therapeutic options to treat Leishmaniasis, a tropical disease caused by the Leishmania protozoan parasite. The study reported here is to investigate if Streptomycin, an aminoglycoside, and Amphotericin B, the second-line treatment drug, exhibit antileishmanial activity through a similar mechanism. By using MOE (Molecular Operating Environment), we performed molecular docking studies on these drugs binding to a range of targets including ribosome targets in Leishmania and H. sapiens. Our study shows that the two drugs do not bind to the same pockets in Leishmania targets but to the same pockets in the human ribosome, with some differences in interactions. Moreover, our 2D maps indicated that Amphotericin B binds to the A-site in the human cytoplasmic ribosome, whereas streptomycin does not.

关 键 词：LEISHMANIASIS STREPTOMYCIN Amphotericin B Molecular Docking AMINOGLYCOSIDES ANTILEISHMANIAL 

分 类 号：R53[医药卫生—内科学]