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Discovery of Alternative Chemotherapy Options for Leishmaniasis through Computational Studies of Asteraceae
Author(s) -
HerreraAcevedo Chonny,
PerdomoMadrigal Camilo,
Muratov Eugene N.,
Scotti Luciana,
Scotti Marcus Tullius
Publication year - 2021
Publication title -
chemmedchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.202000862
Subject(s) - leishmaniasis , paromomycin , leishmania , asteraceae , drug , drug discovery , biology , miltefosine , pharmacology , computational biology , medicine , bioinformatics , immunology , visceral leishmaniasis , computer science , antibiotics , genetics , ecology , parasite hosting , aminoglycoside , world wide web
Abstract Leishmaniasis is a complex disease caused by over 20 Leishmania species that primarily affects populations with poor socioeconomic conditions. Currently available drugs for treating leishmaniasis include amphotericin B, paromomycin, and pentavalent antimonials, which have been associated with several limitations, such as low efficacy, the development of drug resistance, and high toxicity. Natural products are an interesting source of new drug candidates. The Asteraceae family includes more than 23 000 species worldwide. Secondary metabolites that can be found in species from this family have been widely explored as potential new treatments for leishmaniasis. Recently, computational tools have become more popular in medicinal chemistry to establish experimental designs, identify new drugs, and compare the molecular structures and activities of novel compounds. Herein, we review various studies that have used computational tools to examine various compounds identified in the Asteraceae family in the search for potential drug candidates against Leishmania .