Article

Molecular docking, simulation and binding free energy analysis of small molecules as <i>Pf</i> HT1 inhibitors

2022-04-27

Abstract excerpt

Malaria chemotherapy has been plagued by parasite resistance. Novel drugs must be continually explored for malaria treatment. Plasmodium falciparum requires host glucose for survival and proliferation. Protein involved in hexose permeation, P. falciparum hexose transporter 1 ( Pf HT1) is a potential drug target. We performed high throughput virtual screening of 21,352 small-molecule compounds against Pf HT1. T...

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Literature Corpus work: 71fbddf3-0132-589e-84f5-1d10204ba796
DOI: 10.1101/2022.04.27.489756

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