Two inhibitors of yeast plasma membrane ATPase 1 (ScPma1p): toward the development of novel antifungal therapies

Journal of Cheminformatics
Sabine OttilieJacob D Durrant

Abstract

Given that many antifungal medications are susceptible to evolved resistance, there is a need for novel drugs with unique mechanisms of action. Inhibiting the essential proton pump Pma1p, a P-type ATPase, is a potentially effective therapeutic approach that is orthogonal to existing treatments. We identify NSC11668 and hitachimycin as structurally distinct antifungals that inhibit yeast ScPma1p. These compounds provide new opportunities for drug discovery aimed at this important target.

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Citations

May 7, 2020·European Journal of Clinical Microbiology & Infectious Diseases : Official Publication of the European Society of Clinical Microbiology·Ifeanyi Elibe Mba, Emeka Innocent Nweze
Apr 15, 2020·Nature Communications·Gregory M LaMonteElizabeth A Winzeler
May 31, 2019·Frontiers in Microbiology·Hallie S RaneSamuel A Lee

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Software Mentioned

Clustal Omega
Protein Preparation Wizard
OPLS
QikProp
LigPrep
Schrödinger
AutoDock Vina
Prism
Graphpad Prism
Vina

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