Thesis

Virtual Screening of Compounds Produced by Streptomyces Bacteria Against Type I 3- Dehydroquinase

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The rise of mul -drug resistant bacterial strains has presented a challenge in the !eld of drug
discovery and healthcare, with the discon nua on of now-ineBec ve treatments and the need to
develop novel strategies in controlling diseases caused by pathogenic bacteria exempli!ed by
Escherichia coli and Salmonella enterica. This report focused on delving into the possibility of
compounds produced by the bacterial genus Streptomyces in inhibi ng the shikimate pathway
enzyme type I 3-dehydroquinase. The work involved a virtual screening and docking campaign against
a collec on of Streptomyces-produced compounds for their ability to inhibit type I 3-dehydroquinase.
Although a bioac vity screening campaign, taking into considera on reported mechanisms of ac on
of the screened compounds, revealed fumaramidmycin and xanthocidin as plausible candidates
against the target enzyme, none were shown to be able to inhibit said enzyme owing to binding
a?ni es and therefore inhibi on constants lower than that of the natural ligand, 3-dehydroquinate.
Nevertheless, it was revealed that nega ve binding a?ni es were obtained from the docking of
xanthocidin with a model of type I 3-dehydroquinase from Clostridioides di cile, opening a possibility
for modi!ca ons on the ligands to improve binding a?nity towards said enzyme.

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Availability

Detail Information

Series Title

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Call Number

PHA 22-007

Publisher

i3L, Jakarta : i3L, Jakarta., 2022

Collation

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Language

English

ISBN/ISSN

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Classification

NONE

Content Type

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Media Type

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Carrier Type

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Edition

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Subject(s)

Streptomyces Bacteria
TYPE I 3- DEHYDROQUINASE
VIRTUAL SCREENING

Specific Detail Info

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Statement of Responsibility

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