[PDF][PDF] A 2-D QSAR modeling, molecular docking study and design of 2-Arylbenzimidazole derivatives as novel leishmanial inhibitors: a molecular dynamics study

FA Ugbe, GA Shallangwa, A Uzairu, I Abdulkadir - Advan J Chem Sect A, 2023 - sid.ir
Leishmaniasis is a tropical disease that infects approximately 12 million people living
majorly in tropical Africa, Southeast Asia and Latin America [1]. Visceral leishmaniasis (VL)
is the deadliest of all leishmanial infections and always proves fatal if left untreated. The
leishmanial (L) parasites cause VL, majorly Leishmania donovani and Leishmania infantum,
which are spread to humans by sand flies [2]. Significant health challenges associated with
leishmaniasis include weakness, weight loss, fever and hepatosplenomegaly [3]. Because …

A 2-D QSAR Modeling, Molecular Docking Study and Design of 2-Arylbenzimidazole Derivatives as Novel Leishmania Inhibitors: A Molecular Dynamics Study

A Uzairu, I Abdulkadir, GA Shallangwa, FA Ugbe - 2023 - sid.ir
Leishmaniasis, a neglected tropical disease, affects a human population of over 12 million
people, mainly in the tropics, and is caused by the leishmanial parasites transmitted by the
female sand fly. The lack of vaccines to prevent Leishmaniasis, and the limitations of existing
therapies necessitated this study, which was focused on the computational design of some
novel 2-arylbenzimidazole analogs while subjecting the same to Molecular docking,
pharmacokinetics, and Molecular Dynamic (MD) simulation to ascertain their drug-ability …
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