Summary of Study ST001839
This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR001161. The data can be accessed directly via it's Project DOI: 10.21228/M8N11H This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.
| Study ID | ST001839 |
| Study Title | Metabolite profiling of Malaysian Gracilaria edulis reveals Eplerenone as novel antibacterial compound for drug repurposing against MDR Bacteria |
| Study Type | In vitro antibacterial studies |
| Study Summary | The current study re-defines a method to reveal bioactive compounds from the crude extracts of Malaysian red seaweed Gracilaria edulis, having promising antibacterial activities against selected bacterial species. Three species of Gram-positive and - negative characters were remarkably inhibited by the sequential and direct extracts of ethyl acetate and acetone. These were further separated through chromatographic methods to reveal a plethora of chemical constituents to be considered for a downstream virtual screening against selected crucial proteins of the six bacteria. |
| Institute | Sunway University |
| Department | Biological Sciences, Sunway University, Selangor, Malaysia |
| Laboratory | Disease Complexity |
| Last Name | Lahiri |
| First Name | Chandrajit |
| Address | Sunway University, No. 5, Jalan Universiti, Bandar Sunway, Petaling Jaya 47500, Selangor, Malaysia |
| chandrajitl@sunway.edu.my | |
| Phone | +60 3 7491 8622 |
| Submit Date | 2021-04-13 |
| Raw Data Available | Yes |
| Analysis Type Detail | LC-MS |
| Release Date | 2021-10-20 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Project:
| Project ID: | PR001161 |
| Project DOI: | doi: 10.21228/M8N11H |
| Project Title: | Exploring the Antibacterial Potentials of South-East Asian Natural Products Against Multidrug Resistant Bacteria |
| Project Type: | Mass spectrometric analyses of natural products |
| Project Summary: | With a continuous threat of antimicrobial resistance on human health worldwide, efforts for new alternatives are ongoing for the management of bacterial infectious diseases. Natural products of land and sea, being conceived to be having fewer side effects, pose themselves as a welcome relief. In this respect, we have taken a scaffolded approach to unearthing the almost unexplored chemical constituents of Malaysian red seaweed, Gracilaria edulis. Essentially, a preliminary evaluation of the ethyl acetate and acetone solvent extracts, among a series of six such, revealed potential antibacterial activity against six MDR species namely, Klebsiella pneumoniae, Pseudomonas aeruginosa, Salmonella enterica, methicillin-resistant Staphylococcus aureus (MRSA), Streptococcus pyogenes, and Bacillus subtilis. Detailed analyses of the inlying chemical constituents, through LC-MS and GC-MS chromatographic separation, revealed a library of metabolic compounds. These were led for further virtual screening against selected key role playing proteins in the virulence of the aforesaid bacteria. To this end, detailed predictive pharmacological analyses added up to reinforce Eplerenone as a natural alternative from the plethora of plausible bioactives. Our work adds to the ongoing effort to re-discover and repurpose biochemical compounds to combat the antimicrobial resistance offered by the Gram-positive and the -negative bacterial species. |
| Institute: | Sunway University |
| Department: | Biological Sciences, Sunway University, Selangor, Malaysia |
| Laboratory: | Disease Complexity |
| Last Name: | Lahiri |
| First Name: | Chandrajit |
| Address: | Sunway University, No. 5, Jalan Universiti, Bandar Sunway, Petaling Jaya 47500, Selangor, Malaysia |
| Email: | chandrajitl@sunway.edu.my |
| Phone: | +60 3 7491 8622 |
| Funding Source: | None |
| Project Comments: | Ongoing |
| Publications: | Metabolite profiling of Malaysian Gracilaria edulis reveals Eplerenone as novel antibacterial compound for drug repurposing against MDR Bacteria |
| Contributors: | Ali Asghar, Syafiq Asnawi |
Subject:
| Subject ID: | SU001916 |
| Subject Type: | Other organism |
| Subject Species: | Gracilaria edulis |
| Taxonomy ID: | 172966 |
| Gender: | Not applicable |
| Species Group: | Rhodophyta |
Factors:
Subject type: Other organism; Subject species: Gracilaria edulis (Factor headings shown in green)
| mb_sample_id | local_sample_id | Solvent | Treatment |
|---|---|---|---|
| SA171097 | GE-GC-AC(d) | Acetone | Direct |
| SA171098 | GE-GC-AC(s) | Acetone | Sequential |
| SA171099 | GE-LC-AC(s) | Acetone | Sequential |
| SA171100 | BL-GC-AC(d) | Blank(Acetone) | Direct |
| SA171101 | BL-GC-AC(s) | Blank(Acetone) | Sequential |
| SA171102 | BL-GC-EA(d) | Blank(Ethyl acetate) | Direct |
| SA171103 | BL-GC-EA(s) | Blank(Ethyl acetate) | Sequential |
| SA171104 | BL-LC-MT(s) | Blank(Methanol) | Sequential |
| SA171105 | GE-GC-EA(d) | Ethyl acetate | Direct |
| SA171106 | GE-GC-EA(s) | Ethyl acetate | Sequential |
| SA171107 | GE-LC-EA(s) | Ethyl acetate | Sequential |
| Showing results 1 to 11 of 11 |
Collection:
| Collection ID: | CO001909 |
| Collection Summary: | Healthy specimens of Gracilaria edulis were collected from Pantai Morib, Selangor, Malaysia. Further, for the correct identification of G. edulis, observation of the characters was carried out according to Guiry & Guiry (2021). |
| Sample Type: | Seaweed |
Treatment:
| Treatment ID: | TR001928 |
| Treatment Summary: | Extracts of Gracilaria edulis were prepared through two different approaches, namely, sequential and direct, following the procedure of Subermaniam et al. (2020). For the sequential process, the solvents were used in the order of increasing polarity viz. ethyl acetate < acetone. For the direct extracts, ethyl acetate and acetone were used separately. |
Sample Preparation:
| Sampleprep ID: | SP001922 |
| Sampleprep Summary: | Essentially, for both approaches, the seaweeds were rinsed sequentially with seawater followed by normal tap and then double distilled water to eradicate dirt and impurities. Clean samples were then dried using a freeze-dryer and later crushed into fine granule powder using an electric grinder. Different fractions of extracts were prepared using 10 grams of each powder to dissolve them in 100 mL of the mentioned solvents. All the prepared mixtures were made homogeneous using a rotating shaker (Yihder LM-530D, Shaker, Taiwan) for 24 hours and finally centrifuged (Eppendorf 5810 R Centrifuge, Germany) at 4000 rpm for 10 min at 4◦C to separate the supernatant. Each of the clear supernatants of the extracts was concentrated via a Rotary evaporator (Thermo Fisher Scientific EYELA N-1200A Rotary Evaporator, Tokyo). A further concentration using a vacuum concentrator (LaboGene, Brigachtal, Germany) was done to obtain a viscous liquid for storage at 4◦C and future experiments. |
| Processing Storage Conditions: | Room temperature |
| Extract Storage: | 4℃ |
Combined analysis:
| Analysis ID | AN002981 | AN002982 |
|---|---|---|
| Analysis type | MS | MS |
| Chromatography type | Reversed phase | GC |
| Chromatography system | Agilent 1290 Infinity | Agilent 7890B |
| Column | Agilent Zorbax Eclipse Plus C18 (100 x 2.1mm, 1.8 um) | Agilent HP5-MS (30m x 0.25mm, 0.25 um) |
| MS Type | ESI | ESI |
| MS instrument type | QTOF | QTOF |
| MS instrument name | Agilent 6520 QTOF | Agilent 6520 QTOF |
| Ion Mode | POSITIVE | UNSPECIFIED |
| Units | Area % | m/z |
Chromatography:
| Chromatography ID: | CH002210 |
| Chromatography Summary: | LC-MS |
| Methods Filename: | LCMS_protocol.txt |
| Instrument Name: | Agilent 1290 Infinity |
| Column Name: | Agilent Zorbax Eclipse Plus C18 (100 x 2.1mm, 1.8 um) |
| Column Pressure: | 45 psi |
| Column Temperature: | 25 °C |
| Flow Rate: | 0.5 mL per minute |
| Solvent A: | 100% water; 0.1% formic acid |
| Solvent B: | 100% acetonitrile; 0.1% formic acid |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH002211 |
| Chromatography Summary: | GC-MS |
| Methods Filename: | GCMS_protocol.txt |
| Instrument Name: | Agilent 7890B |
| Column Name: | Agilent HP5-MS (30m x 0.25mm, 0.25 um) |
| Flow Rate: | 1.5 mL per minute |
| Analytical Time: | 64 minutes |
| Oven Temperature: | 80°C |
| Chromatography Type: | GC |
MS:
| MS ID: | MS002771 |
| Analysis ID: | AN002981 |
| Instrument Name: | Agilent 6520 QTOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | Data processing Comments: NIST Mass Spectral Search Program-2009 version 2. Software/procedures used for feature assignments: Agilent Mass-Hunter Qualitative Analysis B.05.00. |
| Ion Mode: | POSITIVE |
| MS ID: | MS002772 |
| Analysis ID: | AN002982 |
| Instrument Name: | Agilent 6520 QTOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | Data processing Comments: NIST Mass Spectral Search Program-2009 version 2. Software/procedures used for feature assignments: Agilent Mass-Hunter Qualitative Analysis B.05.00. |
| Ion Mode: | UNSPECIFIED |
