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    AuthorArold, Stefan T. (2)Bajic, Vladimir B. (2)Essack, Magbubah (2)
    Gao, Xin (2)
    Gojobori, Takashi (2)View MoreDepartmentApplied Mathematics and Computational Science Program (2)
    Biological and Environmental Sciences and Engineering (BESE) Division (2)
    Bioscience Program (2)Computational Bioscience Research Center (CBRC) (2)Computer Science Program (2)View MoreJournalBMC Genomics (2)KAUST Grant NumberBAS/1/1059–01-01 (1)BAS/1/1606–01-01 (1)BAS/1/1624–01-01 (1)BAS/1/1659–01-01 (1)FCC/1/1976–02-01 (1)View MorePublisherSpringer Nature (2)Subject
    Bioinformatics (2)
    Antimicrobials (1)Bacillus licheniformis (1)Bacillus paralicheniformis (1)Bacteriocins (1)View MoreType
    Article (2)
    Year (Issue Date)2018 (1)2017 (1)Item AvailabilityOpen Access (2)

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    In silico screening for candidate chassis strains of free fatty acid-producing cyanobacteria

    Motwalli, Olaa Amin; Essack, Magbubah; Jankovic, Boris R.; Ji, Boyang; Liu, Xinyao; Ansari, Hifzur Rahman; Hoehndorf, Robert; Gao, Xin; Arold, Stefan T.; Mineta, Katsuhiko; Archer, John A.C.; Gojobori, Takashi; Mijakovic, Ivan; Bajic, Vladimir B. (BMC Genomics, Springer Nature, 2017-01-05) [Article]
    Background Finding a source from which high-energy-density biofuels can be derived at an industrial scale has become an urgent challenge for renewable energy production. Some microorganisms can produce free fatty acids (FFA) as precursors towards such high-energy-density biofuels. In particular, photosynthetic cyanobacteria are capable of directly converting carbon dioxide into FFA. However, current engineered strains need several rounds of engineering to reach the level of production of FFA to be commercially viable; thus new chassis strains that require less engineering are needed. Although more than 120 cyanobacterial genomes are sequenced, the natural potential of these strains for FFA production and excretion has not been systematically estimated. Results Here we present the FFA SC (FFASC), an in silico screening method that evaluates the potential for FFA production and excretion of cyanobacterial strains based on their proteomes. A literature search allowed for the compilation of 64 proteins, most of which influence FFA production and a few of which affect FFA excretion. The proteins are classified into 49 orthologous groups (OGs) that helped create rules used in the scoring/ranking of algorithms developed to estimate the potential for FFA production and excretion of an organism. Among 125 cyanobacterial strains, FFASC identified 20 candidate chassis strains that rank in their FFA producing and excreting potential above the specifically engineered reference strain, Synechococcus sp. PCC 7002. We further show that the top ranked cyanobacterial strains are unicellular and primarily include Prochlorococcus (order Prochlorales) and marine Synechococcus (order Chroococcales) that cluster phylogenetically. Moreover, two principal categories of enzymes were shown to influence FFA production the most: those ensuring precursor availability for the biosynthesis of lipids, and those involved in handling the oxidative stress associated to FFA synthesis. Conclusion To our knowledge FFASC is the first in silico method to screen cyanobacteria proteomes for their potential to produce and excrete FFA, as well as the first attempt to parameterize the criteria derived from genetic characteristics that are favorable/non-favorable for this purpose. Thus, FFASC helps focus experimental evaluation only on the most promising cyanobacteria.
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    In silico exploration of Red Sea Bacillus genomes for natural product biosynthetic gene clusters

    Othoum, Ghofran K.; Bougouffa, Salim; Mohamad Razali, Rozaimi; Bokhari, Ameerah; Alamoudi, Soha; Antunes, André; Gao, Xin; Hoehndorf, Robert; Arold, Stefan T.; Gojobori, Takashi; Hirt, Heribert; Mijakovic, Ivan; Bajic, Vladimir B.; Lafi, Feras Fawzi; Essack, Magbubah (BMC Genomics, Springer Nature, 2018-05-22) [Article]
    BackgroundThe increasing spectrum of multidrug-resistant bacteria is a major global public health concern, necessitating discovery of novel antimicrobial agents. Here, members of the genus Bacillus are investigated as a potentially attractive source of novel antibiotics due to their broad spectrum of antimicrobial activities. We specifically focus on a computational analysis of the distinctive biosynthetic potential of Bacillus paralicheniformis strains isolated from the Red Sea, an ecosystem exposed to adverse, highly saline and hot conditions.ResultsWe report the complete circular and annotated genomes of two Red Sea strains, B. paralicheniformis Bac48 isolated from mangrove mud and B. paralicheniformis Bac84 isolated from microbial mat collected from Rabigh Harbor Lagoon in Saudi Arabia. Comparing the genomes of B. paralicheniformis Bac48 and B. paralicheniformis Bac84 with nine publicly available complete genomes of B. licheniformis and three genomes of B. paralicheniformis, revealed that all of the B. paralicheniformis strains in this study are more enriched in nonribosomal peptides (NRPs). We further report the first computationally identified trans-acyltransferase (trans-AT) nonribosomal peptide synthetase/polyketide synthase (PKS/ NRPS) cluster in strains of this species.ConclusionsB. paralicheniformis species have more genes associated with biosynthesis of antimicrobial bioactive compounds than other previously characterized species of B. licheniformis, which suggests that these species are better potential sources for novel antibiotics. Moreover, the genome of the Red Sea strain B. paralicheniformis Bac48 is more enriched in modular PKS genes compared to B. licheniformis strains and other B. paralicheniformis strains. This may be linked to adaptations that strains surviving in the Red Sea underwent to survive in the relatively hot and saline ecosystems.
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