Aspergillus flavus originated pure compound as a potential antibacterial

Abstract Problem Background Penicillin was the first and most famous fungal secondary metabolite used as broad spectrum antibiotic that revolutionarised pharmaceutical research and also saved millions of lives. The over optimistic belief in 1967 that sufficient antibiotics had been discovered to def...

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Autores principales:	Saeed Ullah Khattak, Ghosia Lutfullah, Zafar Iqbal, Jamshaid Ahmad, Irshad Ur Rehman, Yanbin Shi, Saima Ikram
Formato:	article
Lenguaje:	EN
Publicado:	BMC 2021
Materias:	Bioactive metabolite Molecular docking NMR LCMS In-silico Staphylococcus aureus Microbiology QR1-502
Acceso en línea:	https://doaj.org/article/3944d91967f34eb3aba6c5c1e3adc5ca
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spelling	oai:doaj.org-article:3944d91967f34eb3aba6c5c1e3adc5ca2021-11-21T12:05:35ZAspergillus flavus originated pure compound as a potential antibacterial10.1186/s12866-021-02371-31471-2180https://doaj.org/article/3944d91967f34eb3aba6c5c1e3adc5ca2021-11-01T00:00:00Zhttps://doi.org/10.1186/s12866-021-02371-3https://doaj.org/toc/1471-2180Abstract Problem Background Penicillin was the first and most famous fungal secondary metabolite used as broad spectrum antibiotic that revolutionarised pharmaceutical research and also saved millions of lives. The over optimistic belief in 1967 that sufficient antibiotics had been discovered to defeat infectious diseases was quickly crashed with the appearance of multidrug resistant (MDR) bacteria in 1990s. This has posed a serious threat to mankind. Although scientists are making efforts to synthesize and discover new antibiotics there are not enough new drugs in pharmaceutical pipeline to beat the pace at which MDR bacteria are emerging. In view of this there is an urgent and serious medical need for new bioactive compounds to be discovered to treat infections caused by MDR pathogens. The present study is aimed to investigate the antibacterial potential of Aspergillus flavus originated compounds that may act as drug leads to treat future infections. Methodology Among the 6 isolated fungal strains from the rhizosphere of Mentha piperetta, one was processed for isolation of secondary metabolites on the basis of preliminary antibacterial testing. Observation of morphological and microscopic features helped in identification of the fungal strain as Aspergillus flavus. Potato Dextrose Agar (PDA) medium was used for fungal growth while Czapec Yeast Broth (CYB) medium was used for production of fungal metabolites. Column chromatography technique was utilized for purification of compound from crude fungal extract and the mass of the compound was determined using Liquid Chromatography Mass Spectrometry (LCMS) method. Structure elucidation of the pure compound was performed using 500 Varian Nuclear Magnetic Resonance (NMR) machine. Docking was performed using Glide SP algorithm. Agar well diffusion method was used to determine the invitro antibacterial potential of the compound against two MDR bacterial strains i.e. Staphylococcus aureus and Proteus vulgaris. For this a total of 4 dose concentrations i.e. (100, 250, 500, 1000 μg mL− 1) of the compound were prepared and applied to bacterial strains on Mueller Hinton agar using tetracycline as control. Results The chemical name of the purified compound from A. flavus was determined as (2E)-3-[(3S, 4R)-8-hydroxy-3, 4-dimethyl-1-oxo-3, 4-dihydro-1H-2- benzopyran-7-yl] prop-2-enoic acid with the formula C14H14O5 and exact mass of 262.08. The in-Silico analysis showed that this compound has the potential to inhibit the binding pocket of S. aureus TyrRS (1JII) with docking score of − 8.67 Kcal mole− 1. The results obtained from invitro experiments were encouraging as at 1000 μg mL− 1 the compound showed 58.8% inhibition against S. aureus and 28% inhibition against P. vulgaris. Conclusions The pure compound with formula C14H14O5 and exact mass of 262 exhibited antibacterial potential both insilico and invitro against both Gram negative and Gram positive bacteria. The compound was more active against S. aureus in comparison to P. vulgaris. From the obtained results it is concluded that this compound can be used as potent antibacterial candidate but further studies will be needed prior to its use as antibiotic.Saeed Ullah KhattakGhosia LutfullahZafar IqbalJamshaid AhmadIrshad Ur RehmanYanbin ShiSaima IkramBMCarticleBioactive metaboliteMolecular dockingNMRLCMSIn-silicoStaphylococcus aureusMicrobiologyQR1-502ENBMC Microbiology, Vol 21, Iss 1, Pp 1-9 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Bioactive metabolite Molecular docking NMR LCMS In-silico Staphylococcus aureus Microbiology QR1-502
spellingShingle	Bioactive metabolite Molecular docking NMR LCMS In-silico Staphylococcus aureus Microbiology QR1-502 Saeed Ullah Khattak Ghosia Lutfullah Zafar Iqbal Jamshaid Ahmad Irshad Ur Rehman Yanbin Shi Saima Ikram Aspergillus flavus originated pure compound as a potential antibacterial
description	Abstract Problem Background Penicillin was the first and most famous fungal secondary metabolite used as broad spectrum antibiotic that revolutionarised pharmaceutical research and also saved millions of lives. The over optimistic belief in 1967 that sufficient antibiotics had been discovered to defeat infectious diseases was quickly crashed with the appearance of multidrug resistant (MDR) bacteria in 1990s. This has posed a serious threat to mankind. Although scientists are making efforts to synthesize and discover new antibiotics there are not enough new drugs in pharmaceutical pipeline to beat the pace at which MDR bacteria are emerging. In view of this there is an urgent and serious medical need for new bioactive compounds to be discovered to treat infections caused by MDR pathogens. The present study is aimed to investigate the antibacterial potential of Aspergillus flavus originated compounds that may act as drug leads to treat future infections. Methodology Among the 6 isolated fungal strains from the rhizosphere of Mentha piperetta, one was processed for isolation of secondary metabolites on the basis of preliminary antibacterial testing. Observation of morphological and microscopic features helped in identification of the fungal strain as Aspergillus flavus. Potato Dextrose Agar (PDA) medium was used for fungal growth while Czapec Yeast Broth (CYB) medium was used for production of fungal metabolites. Column chromatography technique was utilized for purification of compound from crude fungal extract and the mass of the compound was determined using Liquid Chromatography Mass Spectrometry (LCMS) method. Structure elucidation of the pure compound was performed using 500 Varian Nuclear Magnetic Resonance (NMR) machine. Docking was performed using Glide SP algorithm. Agar well diffusion method was used to determine the invitro antibacterial potential of the compound against two MDR bacterial strains i.e. Staphylococcus aureus and Proteus vulgaris. For this a total of 4 dose concentrations i.e. (100, 250, 500, 1000 μg mL− 1) of the compound were prepared and applied to bacterial strains on Mueller Hinton agar using tetracycline as control. Results The chemical name of the purified compound from A. flavus was determined as (2E)-3-[(3S, 4R)-8-hydroxy-3, 4-dimethyl-1-oxo-3, 4-dihydro-1H-2- benzopyran-7-yl] prop-2-enoic acid with the formula C14H14O5 and exact mass of 262.08. The in-Silico analysis showed that this compound has the potential to inhibit the binding pocket of S. aureus TyrRS (1JII) with docking score of − 8.67 Kcal mole− 1. The results obtained from invitro experiments were encouraging as at 1000 μg mL− 1 the compound showed 58.8% inhibition against S. aureus and 28% inhibition against P. vulgaris. Conclusions The pure compound with formula C14H14O5 and exact mass of 262 exhibited antibacterial potential both insilico and invitro against both Gram negative and Gram positive bacteria. The compound was more active against S. aureus in comparison to P. vulgaris. From the obtained results it is concluded that this compound can be used as potent antibacterial candidate but further studies will be needed prior to its use as antibiotic.
format	article
author	Saeed Ullah Khattak Ghosia Lutfullah Zafar Iqbal Jamshaid Ahmad Irshad Ur Rehman Yanbin Shi Saima Ikram
author_facet	Saeed Ullah Khattak Ghosia Lutfullah Zafar Iqbal Jamshaid Ahmad Irshad Ur Rehman Yanbin Shi Saima Ikram
author_sort	Saeed Ullah Khattak
title	Aspergillus flavus originated pure compound as a potential antibacterial
title_short	Aspergillus flavus originated pure compound as a potential antibacterial
title_full	Aspergillus flavus originated pure compound as a potential antibacterial
title_fullStr	Aspergillus flavus originated pure compound as a potential antibacterial
title_full_unstemmed	Aspergillus flavus originated pure compound as a potential antibacterial
title_sort	aspergillus flavus originated pure compound as a potential antibacterial
publisher	BMC
publishDate	2021
url	https://doaj.org/article/3944d91967f34eb3aba6c5c1e3adc5ca
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Aspergillus flavus originated pure compound as a potential antibacterial

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