In Silico and In Vitro Evaluation of the Antimicrobial Potential of <i>Bacillus cereus</i> Isolated from <i>Apis dorsata</i> Gut against <i>Neisseria gonorrhoeae</i>
Antimicrobial resistance is a major public health and development concern on a global scale. The increasing resistance of the pathogenic bacteria <i>Neisseria gonorrhoeae</i> to antibiotics necessitates efforts to identify potential alternative antibiotics from nature, including insects,...
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oai:doaj.org-article:c3cf706a559442dd9eb75561659771052021-11-25T16:24:47ZIn Silico and In Vitro Evaluation of the Antimicrobial Potential of <i>Bacillus cereus</i> Isolated from <i>Apis dorsata</i> Gut against <i>Neisseria gonorrhoeae</i>10.3390/antibiotics101114012079-6382https://doaj.org/article/c3cf706a559442dd9eb75561659771052021-11-01T00:00:00Zhttps://www.mdpi.com/2079-6382/10/11/1401https://doaj.org/toc/2079-6382Antimicrobial resistance is a major public health and development concern on a global scale. The increasing resistance of the pathogenic bacteria <i>Neisseria gonorrhoeae</i> to antibiotics necessitates efforts to identify potential alternative antibiotics from nature, including insects, which are already recognized as a source of natural antibiotics by the scientific community. This study aimed to determine the potential of components of gut-associated bacteria isolated from <i>Apis dorsata</i>, an Asian giant honeybee, as an antibacterial against <i>N. gonorrhoeae</i> by in vitro and in silico methods as an initial process in the stage of new drug discovery. The identified gut-associated bacteria of <i>A. dorsata</i> included <i>Acinetobacter indicus</i> and <i>Bacillus cereus</i> with 100% identity to referenced bacteria from GenBank. Cell-free culture supernatants (CFCS) of <i>B. cereus</i> had a very strong antibacterial activity against <i>N. gonorrhoeae</i> in an in vitro antibacterial testing. Meanwhile, molecular docking revealed that antimicrobial lipopeptides from <i>B. cereus</i> (surfactin, fengycin, and iturin A) had a comparable value of binding-free energy (BFE) with the target protein receptor for <i>N. gonorrhoeae</i>, namely penicillin-binding protein (PBP) 1 and PBP2 when compared with the ceftriaxone, cefixime, and doxycycline. The molecular dynamics simulation (MDS) study revealed that the surfactin remains stable at the active site of PBP2 despite the alteration of the H-bond and hydrophobic interactions. According to this finding, surfactin has the greatest antibacterial potential against PBP2 of <i>N. gonorrhoeae</i>.Nurdjannah Jane NiodeAryani AdjiJimmy RimbingMax TulungMohammed AlorabiAhmed M. El-ShehawiRinaldi IdroesIsmail CelikFatimawaliAhmad Akroman AdamKuldeep DhamaGomaa Mostafa-HedeabAmany Abdel-Rahman MohamedTrina Ekawati TalleiTalha Bin EmranMDPI AGarticlelipopeptide<i>Apis dorsata</i><i>Bacillus cereus</i><i>Neisseria gonorrhoeae</i>insect gutantimicrobial activityTherapeutics. PharmacologyRM1-950ENAntibiotics, Vol 10, Iss 1401, p 1401 (2021) |
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lipopeptide <i>Apis dorsata</i> <i>Bacillus cereus</i> <i>Neisseria gonorrhoeae</i> insect gut antimicrobial activity Therapeutics. Pharmacology RM1-950 |
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lipopeptide <i>Apis dorsata</i> <i>Bacillus cereus</i> <i>Neisseria gonorrhoeae</i> insect gut antimicrobial activity Therapeutics. Pharmacology RM1-950 Nurdjannah Jane Niode Aryani Adji Jimmy Rimbing Max Tulung Mohammed Alorabi Ahmed M. El-Shehawi Rinaldi Idroes Ismail Celik Fatimawali Ahmad Akroman Adam Kuldeep Dhama Gomaa Mostafa-Hedeab Amany Abdel-Rahman Mohamed Trina Ekawati Tallei Talha Bin Emran In Silico and In Vitro Evaluation of the Antimicrobial Potential of <i>Bacillus cereus</i> Isolated from <i>Apis dorsata</i> Gut against <i>Neisseria gonorrhoeae</i> |
description |
Antimicrobial resistance is a major public health and development concern on a global scale. The increasing resistance of the pathogenic bacteria <i>Neisseria gonorrhoeae</i> to antibiotics necessitates efforts to identify potential alternative antibiotics from nature, including insects, which are already recognized as a source of natural antibiotics by the scientific community. This study aimed to determine the potential of components of gut-associated bacteria isolated from <i>Apis dorsata</i>, an Asian giant honeybee, as an antibacterial against <i>N. gonorrhoeae</i> by in vitro and in silico methods as an initial process in the stage of new drug discovery. The identified gut-associated bacteria of <i>A. dorsata</i> included <i>Acinetobacter indicus</i> and <i>Bacillus cereus</i> with 100% identity to referenced bacteria from GenBank. Cell-free culture supernatants (CFCS) of <i>B. cereus</i> had a very strong antibacterial activity against <i>N. gonorrhoeae</i> in an in vitro antibacterial testing. Meanwhile, molecular docking revealed that antimicrobial lipopeptides from <i>B. cereus</i> (surfactin, fengycin, and iturin A) had a comparable value of binding-free energy (BFE) with the target protein receptor for <i>N. gonorrhoeae</i>, namely penicillin-binding protein (PBP) 1 and PBP2 when compared with the ceftriaxone, cefixime, and doxycycline. The molecular dynamics simulation (MDS) study revealed that the surfactin remains stable at the active site of PBP2 despite the alteration of the H-bond and hydrophobic interactions. According to this finding, surfactin has the greatest antibacterial potential against PBP2 of <i>N. gonorrhoeae</i>. |
format |
article |
author |
Nurdjannah Jane Niode Aryani Adji Jimmy Rimbing Max Tulung Mohammed Alorabi Ahmed M. El-Shehawi Rinaldi Idroes Ismail Celik Fatimawali Ahmad Akroman Adam Kuldeep Dhama Gomaa Mostafa-Hedeab Amany Abdel-Rahman Mohamed Trina Ekawati Tallei Talha Bin Emran |
author_facet |
Nurdjannah Jane Niode Aryani Adji Jimmy Rimbing Max Tulung Mohammed Alorabi Ahmed M. El-Shehawi Rinaldi Idroes Ismail Celik Fatimawali Ahmad Akroman Adam Kuldeep Dhama Gomaa Mostafa-Hedeab Amany Abdel-Rahman Mohamed Trina Ekawati Tallei Talha Bin Emran |
author_sort |
Nurdjannah Jane Niode |
title |
In Silico and In Vitro Evaluation of the Antimicrobial Potential of <i>Bacillus cereus</i> Isolated from <i>Apis dorsata</i> Gut against <i>Neisseria gonorrhoeae</i> |
title_short |
In Silico and In Vitro Evaluation of the Antimicrobial Potential of <i>Bacillus cereus</i> Isolated from <i>Apis dorsata</i> Gut against <i>Neisseria gonorrhoeae</i> |
title_full |
In Silico and In Vitro Evaluation of the Antimicrobial Potential of <i>Bacillus cereus</i> Isolated from <i>Apis dorsata</i> Gut against <i>Neisseria gonorrhoeae</i> |
title_fullStr |
In Silico and In Vitro Evaluation of the Antimicrobial Potential of <i>Bacillus cereus</i> Isolated from <i>Apis dorsata</i> Gut against <i>Neisseria gonorrhoeae</i> |
title_full_unstemmed |
In Silico and In Vitro Evaluation of the Antimicrobial Potential of <i>Bacillus cereus</i> Isolated from <i>Apis dorsata</i> Gut against <i>Neisseria gonorrhoeae</i> |
title_sort |
in silico and in vitro evaluation of the antimicrobial potential of <i>bacillus cereus</i> isolated from <i>apis dorsata</i> gut against <i>neisseria gonorrhoeae</i> |
publisher |
MDPI AG |
publishDate |
2021 |
url |
https://doaj.org/article/c3cf706a559442dd9eb7556165977105 |
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