Journal article
Metabolomic Profiling, In Vitro Antimalarial Investigation and In Silico Modeling of the Marine Actinobacterium Strain Rhodococcus sp. UR111 Associated with the Soft Coral Nephthea sp
Antibiotics (Basel), Vol.11(11), p.1631
11/15/2022
DOI: 10.3390/antibiotics11111631
PMCID: PMC9686727
PMID: 36421275
Abstract
Malaria is a persistent illness with a great public health concern. To combat this fatal disease, developing effective antimalarial medications has become a necessity. In the present study, we described the actinomycetes associated with the Red Sea soft coral
Nephthea
sp. and isolated a strain that was sub-cultured in three different media (M1, ISP2, and OLIGO). Actinomycete isolate’s phylogenetic analysis of the 16S rRNA gene revealed that it belongs to the genus
Rhodococcus
. In vitro screening of the antimalarial activity for three extracts against
Plasmodium falciparum
was carried out. Non-targeted metabolomics for the chemical characterization of the isolated actinomycete species UA111 derived extracts were employed using high-resolution liquid chromatography–mass spectrometry (LC-HR-MS) for dereplication purposes. Additionally, statistical analysis of the vast LC-MS data was performed using MetaboAnalyst 5.0. Finally, an in silico analysis was conducted to investigate the potential chemical compounds that could be the source of the antimalarial potential. The results revealed that ISP2 media extract is the most effective against
Plasmodium falciparum
, according to antimalarial screening (IC
50
8.5 µg/mL), in contrast, OLIGO media extract was inactive. LC-HRMS-based metabolomics identified a range of metabolites, mainly alkaloids, from the genus
Rhodococcus
. On the other hand, multivariate analysis showed chemical diversity between the analyzed samples, with ISP2 extract being optimal. The docking analysis was able to anticipate the various patterns of interaction of the annotated compounds with three malarial protein targets (
P. falciparum
kinase,
P. falciparum
cytochrome bc1 complex, and
P. falciparum
lysyl-tRNA synthetase). Among all of the test compounds, perlolyrine (11) and 3097-B2 (12) displayed the best docking profiles. In conclusion, this work demonstrated the value of the established method for the metabolic profiling of marine actinomycetes using the data from liquid chromatography–mass spectrometry (LC-MS), which helps to streamline the difficult isolation stages required for their chemical characterization. In addition, the antimalarial efficacy of this strain has intriguing implications for future pharmaceutical development.
Details
- Title: Subtitle
- Metabolomic Profiling, In Vitro Antimalarial Investigation and In Silico Modeling of the Marine Actinobacterium Strain Rhodococcus sp. UR111 Associated with the Soft Coral Nephthea sp
- Creators
- Noha M. Gamaleldin - Department of Microbiology, Faculty of Pharmacy, The British University in Egypt (BUE), Cairo 11837, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Nahda University, Beni-Suef 62764, Egypt Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Assiut University, Assiut 71526, Egypt Department of Biology, University of Iowa, Iowa City, IA 52242-1324, USA Department of Plant and Microbiology, Faculty of Science, Damanhour University, Damanhour 22511, Egypt Division of Cellular and Applied Infection Biology, Institute of Zoology, RWTH Aachen University, 52074 Aachen, Germany Department of Pharmacognosy, Faculty of Pharmacy, Beni-Suef University, Beni-Suef 62511, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Minia University, Minia 61519, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Deraya University, Minia 61111, Egypt Department of Biology, College of Science, Princess Nourah Bint Abdulrahman University, Riyadh 11671, Saudi Arabia Botany and Microbiology Department, Faculty of Science, Beni-Suef University, Beni-Suef 62511, EgyptHebatallah S. Bahr - Department of Microbiology, Faculty of Pharmacy, The British University in Egypt (BUE), Cairo 11837, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Nahda University, Beni-Suef 62764, Egypt Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Assiut University, Assiut 71526, Egypt Department of Biology, University of Iowa, Iowa City, IA 52242-1324, USA Department of Plant and Microbiology, Faculty of Science, Damanhour University, Damanhour 22511, Egypt Division of Cellular and Applied Infection Biology, Institute of Zoology, RWTH Aachen University, 52074 Aachen, Germany Department of Pharmacognosy, Faculty of Pharmacy, Beni-Suef University, Beni-Suef 62511, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Minia University, Minia 61519, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Deraya University, Minia 61111, Egypt Department of Biology, College of Science, Princess Nourah Bint Abdulrahman University, Riyadh 11671, Saudi Arabia Botany and Microbiology Department, Faculty of Science, Beni-Suef University, Beni-Suef 62511, EgyptYaser A. Mostafa - Department of Microbiology, Faculty of Pharmacy, The British University in Egypt (BUE), Cairo 11837, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Nahda University, Beni-Suef 62764, Egypt Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Assiut University, Assiut 71526, Egypt Department of Biology, University of Iowa, Iowa City, IA 52242-1324, USA Department of Plant and Microbiology, Faculty of Science, Damanhour University, Damanhour 22511, Egypt Division of Cellular and Applied Infection Biology, Institute of Zoology, RWTH Aachen University, 52074 Aachen, Germany Department of Pharmacognosy, Faculty of Pharmacy, Beni-Suef University, Beni-Suef 62511, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Minia University, Minia 61519, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Deraya University, Minia 61111, Egypt Department of Biology, College of Science, Princess Nourah Bint Abdulrahman University, Riyadh 11671, Saudi Arabia Botany and Microbiology Department, Faculty of Science, Beni-Suef University, Beni-Suef 62511, EgyptBryant F. McAllister - University of IowaAmr El Zawily - University of IowaChe J. Ngwa - Department of Microbiology, Faculty of Pharmacy, The British University in Egypt (BUE), Cairo 11837, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Nahda University, Beni-Suef 62764, Egypt Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Assiut University, Assiut 71526, Egypt Department of Biology, University of Iowa, Iowa City, IA 52242-1324, USA Department of Plant and Microbiology, Faculty of Science, Damanhour University, Damanhour 22511, Egypt Division of Cellular and Applied Infection Biology, Institute of Zoology, RWTH Aachen University, 52074 Aachen, Germany Department of Pharmacognosy, Faculty of Pharmacy, Beni-Suef University, Beni-Suef 62511, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Minia University, Minia 61519, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Deraya University, Minia 61111, Egypt Department of Biology, College of Science, Princess Nourah Bint Abdulrahman University, Riyadh 11671, Saudi Arabia Botany and Microbiology Department, Faculty of Science, Beni-Suef University, Beni-Suef 62511, EgyptGabriele Pradel - Department of Microbiology, Faculty of Pharmacy, The British University in Egypt (BUE), Cairo 11837, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Nahda University, Beni-Suef 62764, Egypt Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Assiut University, Assiut 71526, Egypt Department of Biology, University of Iowa, Iowa City, IA 52242-1324, USA Department of Plant and Microbiology, Faculty of Science, Damanhour University, Damanhour 22511, Egypt Division of Cellular and Applied Infection Biology, Institute of Zoology, RWTH Aachen University, 52074 Aachen, Germany Department of Pharmacognosy, Faculty of Pharmacy, Beni-Suef University, Beni-Suef 62511, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Minia University, Minia 61519, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Deraya University, Minia 61111, Egypt Department of Biology, College of Science, Princess Nourah Bint Abdulrahman University, Riyadh 11671, Saudi Arabia Botany and Microbiology Department, Faculty of Science, Beni-Suef University, Beni-Suef 62511, EgyptHossam M. Hassan - Department of Microbiology, Faculty of Pharmacy, The British University in Egypt (BUE), Cairo 11837, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Nahda University, Beni-Suef 62764, Egypt Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Assiut University, Assiut 71526, Egypt Department of Biology, University of Iowa, Iowa City, IA 52242-1324, USA Department of Plant and Microbiology, Faculty of Science, Damanhour University, Damanhour 22511, Egypt Division of Cellular and Applied Infection Biology, Institute of Zoology, RWTH Aachen University, 52074 Aachen, Germany Department of Pharmacognosy, Faculty of Pharmacy, Beni-Suef University, Beni-Suef 62511, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Minia University, Minia 61519, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Deraya University, Minia 61111, Egypt Department of Biology, College of Science, Princess Nourah Bint Abdulrahman University, Riyadh 11671, Saudi Arabia Botany and Microbiology Department, Faculty of Science, Beni-Suef University, Beni-Suef 62511, EgyptUsama Ramadan Abdelmohsen - Department of Microbiology, Faculty of Pharmacy, The British University in Egypt (BUE), Cairo 11837, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Nahda University, Beni-Suef 62764, Egypt Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Assiut University, Assiut 71526, Egypt Department of Biology, University of Iowa, Iowa City, IA 52242-1324, USA Department of Plant and Microbiology, Faculty of Science, Damanhour University, Damanhour 22511, Egypt Division of Cellular and Applied Infection Biology, Institute of Zoology, RWTH Aachen University, 52074 Aachen, Germany Department of Pharmacognosy, Faculty of Pharmacy, Beni-Suef University, Beni-Suef 62511, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Minia University, Minia 61519, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Deraya University, Minia 61111, Egypt Department of Biology, College of Science, Princess Nourah Bint Abdulrahman University, Riyadh 11671, Saudi Arabia Botany and Microbiology Department, Faculty of Science, Beni-Suef University, Beni-Suef 62511, EgyptDalal Hussien M. Alkhalifah - Department of Microbiology, Faculty of Pharmacy, The British University in Egypt (BUE), Cairo 11837, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Nahda University, Beni-Suef 62764, Egypt Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Assiut University, Assiut 71526, Egypt Department of Biology, University of Iowa, Iowa City, IA 52242-1324, USA Department of Plant and Microbiology, Faculty of Science, Damanhour University, Damanhour 22511, Egypt Division of Cellular and Applied Infection Biology, Institute of Zoology, RWTH Aachen University, 52074 Aachen, Germany Department of Pharmacognosy, Faculty of Pharmacy, Beni-Suef University, Beni-Suef 62511, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Minia University, Minia 61519, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Deraya University, Minia 61111, Egypt Department of Biology, College of Science, Princess Nourah Bint Abdulrahman University, Riyadh 11671, Saudi Arabia Botany and Microbiology Department, Faculty of Science, Beni-Suef University, Beni-Suef 62511, EgyptWael N. Hozzein - Department of Microbiology, Faculty of Pharmacy, The British University in Egypt (BUE), Cairo 11837, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Nahda University, Beni-Suef 62764, Egypt Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Assiut University, Assiut 71526, Egypt Department of Biology, University of Iowa, Iowa City, IA 52242-1324, USA Department of Plant and Microbiology, Faculty of Science, Damanhour University, Damanhour 22511, Egypt Division of Cellular and Applied Infection Biology, Institute of Zoology, RWTH Aachen University, 52074 Aachen, Germany Department of Pharmacognosy, Faculty of Pharmacy, Beni-Suef University, Beni-Suef 62511, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Minia University, Minia 61519, Egypt Department of Pharmacognosy, Faculty of Pharmacy, Deraya University, Minia 61111, Egypt Department of Biology, College of Science, Princess Nourah Bint Abdulrahman University, Riyadh 11671, Saudi Arabia Botany and Microbiology Department, Faculty of Science, Beni-Suef University, Beni-Suef 62511, Egypt
- Resource Type
- Journal article
- Publication Details
- Antibiotics (Basel), Vol.11(11), p.1631
- Publisher
- MDPI
- DOI
- 10.3390/antibiotics11111631
- PMID
- 36421275
- PMCID
- PMC9686727
- ISSN
- 2079-6382
- eISSN
- 2079-6382
- Language
- English
- Date published
- 11/15/2022
- Academic Unit
- Biology
- Record Identifier
- 9984319257102771
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