Investigating fadd32 as a target for 7-substituted coumarin derivatives and other potential antimycobacterial agents
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Date
2024
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Universty of the Western Cape
Abstract
Antimycobacterial agents that can circumvent drug resistance are urgently required. One strategy of finding novel Tuberculosis (TB) drugs is to target new proteins within validated biosynthetic pathways. Targeting FadD32 is one such approach. This protein is an enzyme involved in mycolic acid synthesis, therefore, inhibiting FadD32 leads to Mycobacterium tuberculosis cell death while circumventing resistance to TB drugs such as isoniazid. With that said, investigating compounds with the potential to inhibit FadD32 may contribute towards improving TB treatment. This study mainly focused on the use of a structure-based drug design technique known as molecular docking in order to investigate if a series of 7-substituted coumarin derivatives and other scaffolds from the Maybridge database could potentially bind to FadD32. For this investigation to be carried out, the FadD32 protein had to be downloaded from the protein databank and prepared using an application known as Molecular Operating Environment (MOE 2020).
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Keywords
Tuberculosis, World Health Organization, Mycobacterium tuberculosis, Linezolid, Bedaquiline