The spawn of antimicrobial resistance (AMR) era has started ever since the past few decades, and it has caused a great
concern especially by healthcare providers. The importance of a new class of novel antibiotics is very much needed to overcome
this AMR. Fortunately, through computer aided drug design (CADD) and various other in silico methods, it allows scientists to
create new potent ligands as potential drugs. Methodologies: Herein, 156 novel aminoalkylnaphthols are examined for the first
time in this molecular docking study against two metalloenzymes; UDP-3-O-[R-3-hydroxymyrisoyl]-N-acetylglusomaine
deactylase of pseudomonas aeruginosa (PaLpxC) and peptide deformylase of staphylococcus aureus (SaPDF). Results: The novel
ligands are reported to have satisfactory inhibition constant (Ki). The best docked ligand against PaLpxC is 4y with Ki of 1.71 and
4u with a Ki of 14.73 against SaPDF. This indicates the potency of the novel ligands. Besides that, after further graphical analyses,
the novel aminoalkylnaphthols are found to bind at a new binding site in PaLpxC as compared to reported inhibitors in literatures,
which might suggest a new promising binding site has been found. Conclusion: Therefore, this new class of novel ligands are
promising potent inhibitors against these two important enzymes.
Key words: antimicrobial resistance, CADD
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