Molecular Docking of the Terpenes in Gorgonian Corals to COX-2 and iNOS Enzymes as Anti-Inflammatory

Background: The inflammatory pathway is induced by cyclooxygenase-2 (COX-2) and inducible nitric oxide synthase (iNOS) enzymes, so it requires the development of its inhibitors, such as nonsteroidal anti-inflammatory drugs (NSAIDs), but they have side effects. Therefore, the discovery and development of natural medicine as a lead compound are needed. The gorgonian corals have been reported to contain cyclic diterpenes with anti-inflammatory activities. The specific anti-inflammatory inhibitor potential has not been reported regarding these secondary metabolites, whether in COX-2 or iNOS. Thus, the in silico method is the right alternative. Objective: This study aimed to determine the potency of fifteen terpenes of the various gorgonian corals to COX-2 and iNOS enzymes as an anti-inflammatory Methods: Molecular docking was performed using ChemDraw Ultra 12.0, Chem3D Pro 12.0, Biovia Discovery Studio 2016 Client®, Autodock Tools 4.2, prediction pharmacokinetics (Pre-ADMET), and oral administration (Lipinski rule of five). Results: Potential terpenes based on ΔG (kcal/mol) and Ki (nM) to COX-2 were gyrosanol B (-10,32; 27,15), gyrosanol A (-10,20; 33,57), echinolabdane A (-9,81; 64,76). Only nine terpenes were specific to COX-2 active sites, while for iNOS were palmonine F (-7.76; 2070), briarenol C (-7.55; 2910), and all test compounds binding to the iNOS active sites. Pre-ADMET prediction obtained that HIA was very excellent (70–100%), Caco-2 had moderate permeability (4–70 nm sec-1), and PPB had strong binding (> 90%). Eight terpenes qualified for the Lipinski rule of five. Conclusion: NOS was a specific target for terpenes based on the free energy of binding (ΔG).

Mesophotic Gorgonian Corals Evolved Multiple Times and Faster Than Deep and Shallow Lineages

Mesophotic Coral Ecosystems (MCEs) develop on a unique environment, where abrupt environmental changes take place. Using a time-calibrated molecular phylogeny (mtDNA: mtMutS), we examined the lineage membership of mesophotic gorgonian corals (Octocorallia: Cnidaria) in comparison to shallow and deep-sea lineages of the wider Caribbean-Gulf of Mexico and the Tropical Eastern Pacific. Our results show mesophotic gorgonians originating multiple times from old deep-sea octocoral lineages, whereas shallow-water species comprise younger lineages. The mesophotic gorgonian fauna in the studied areas is related to their zooxanthellate shallow-water counterparts in only two clades (Gorgoniidae and Plexauridae), where the bathymetrical gradient could serve as a driver of diversification. Interestingly, mesophotic clades have diversified faster than either shallow or deep clades. One of this groups with fast diversification is the family Ellisellidae, a major component of the mesophotic gorgonian coral assemblage worldwide.

Gorgonian Responses to Environmental Change on Coral Reefs in SE Sulawesi, Indonesia

<p>Gorgonian corals (Cnidaria: Anthozoa: Octocorallia) are conspicuous, diverse and often dominant components of benthic marine environments. Intra- & interspecific morphological variability in gorgonians are influenced by environmental factors such as light, sedimentation and flow rates. Yet, little is known about the responses of gorgonian taxa to environmental parameters particularly in Indonesia, despite their high regional abundance and diversity. With a burgeoning human population and subsequent marine resource exploitation, reefs throughout the Indonesian archipelago are under rapid decline and often destroyed. Conservation surveys are however, underway with a tendency to overlook gorgonian taxa primarily due to unresolved taxonomic assignment leading to difficulties in field identification. The aims of this study were to: 1) characterise gorgonian diversity and ecology across a gradient of habitat quality within the Wakatobi Marine National Park (WMNP), SE Sulawesi, Indonesia, 2) assess morphological and genetic variability between morphotypes of the ubiquitous zooxanthellate isidid Isis hippuris Linnaeus 1758 from healthy and degraded reefs, 3) determine if I. hippuris morphotypes are environmentally induced (plastic) or genetically derived through reciprocal transplant experiments (RTEs) between contrasting reefs and thus, 4) identify mechanisms of plasticity capacity or divergence through phenotypic trait integration in response to environmental change. Ecological surveys revealed considerable gorgonian diversity with a total of 197 species and morphotypes from 42 genera, and 12 families within the suborders Calcaxonia and Holaxonia and the group Scleraxonia, with current estimates of over 21 new species and 28 new species records for the region. Gorgonian abundance and diversity increased with reef health and bathymetry. However, a clear loss of gorgonian diversity existed with increased sedimentation and reduced light due to anthropogenic disturbance. In particular, two distinct I. hippuris morphotypes were highly abundant between environmental clines: short-branched multi/planar colonies on healthy reefs, and long-branched bushy colonies on degraded reefs. Comparative morphological and molecular analyses using ITS2 sequence and predicted secondary structure, further corroborated haplotype differences relative to morphotypes between environments. However, unsatisfactory assignment of I. hippuris morphotypes to previously described alternatives (Isis reticulata Nutting 1910, Isis minorbrachyblasta Zou, Huang & Wang 1991) questions the validity to such taxonomic assignments. Phylogenetic analyses also confirm that the polyphyletic nature of the Isididae lies in its type species I. hippuris, being unrelated to the rest of its family members. A one-year RTE revealed three key results, that: 1) reduced survivorship of healthy reef morphotypes on degraded reefs implied the onset of lineage segregation through immigrant inviability, 2) prominent phenotypic traits were at the morphological and bio-optical levels revealing high phenotypic plasticity in healthy clones, and relative insensitivity to environmental change in degraded reef morphotypes, indicative of local adaptation leading to incipient ecological divergence, and 3) photoacclimation at the bio-optical level was not attributed to endosymbiont diversity or shuffling, with all test colonies possessing a novel clade D1a Symbiodinium. While it is clear that gorgonian taxa within the WMNP are of exceptional diversity and abundance, responses to environmental perturbation highlight three pertinent, testable ideas. Firstly, increased species richness specifically with depth in azooxanthellate taxa, invite tests of deep-reef refugia previously established through geological change. Secondly, ecological assessment targets research on informative taxa for focused systematics and mechanisms of phenotypic divergence. Thirdly, exploring intrinsic and extrinsic interactions that define the host-symbiont relationship and differential biological success using physiological and next generation sequencing approaches. These objectives would provide considerable insight into the evolutionary processes to environmental change, accelerated by anthropogenic encroachment. Taken together, this work signifies that gorgonian corals within the WMNP are of foremost diversity and concern, exhibiting informative ecological and mechanistic responses to environmental perturbation. This evidence elicits tests of deep-reef refugia, priority systematics, mechanisms of ecological divergence and physiological assessment. Such tests inevitably expand our understanding of the intrinsic and extrinsic associations of gorgonian taxa to environmental change from an historical and predictive perspective yielding benefits to conservation assessment and management.</p>

Gorgonian Responses to Environmental Change on Coral Reefs in SE Sulawesi, Indonesia

<p>Gorgonian corals (Cnidaria: Anthozoa: Octocorallia) are conspicuous, diverse and often dominant components of benthic marine environments. Intra- & interspecific morphological variability in gorgonians are influenced by environmental factors such as light, sedimentation and flow rates. Yet, little is known about the responses of gorgonian taxa to environmental parameters particularly in Indonesia, despite their high regional abundance and diversity. With a burgeoning human population and subsequent marine resource exploitation, reefs throughout the Indonesian archipelago are under rapid decline and often destroyed. Conservation surveys are however, underway with a tendency to overlook gorgonian taxa primarily due to unresolved taxonomic assignment leading to difficulties in field identification. The aims of this study were to: 1) characterise gorgonian diversity and ecology across a gradient of habitat quality within the Wakatobi Marine National Park (WMNP), SE Sulawesi, Indonesia, 2) assess morphological and genetic variability between morphotypes of the ubiquitous zooxanthellate isidid Isis hippuris Linnaeus 1758 from healthy and degraded reefs, 3) determine if I. hippuris morphotypes are environmentally induced (plastic) or genetically derived through reciprocal transplant experiments (RTEs) between contrasting reefs and thus, 4) identify mechanisms of plasticity capacity or divergence through phenotypic trait integration in response to environmental change. Ecological surveys revealed considerable gorgonian diversity with a total of 197 species and morphotypes from 42 genera, and 12 families within the suborders Calcaxonia and Holaxonia and the group Scleraxonia, with current estimates of over 21 new species and 28 new species records for the region. Gorgonian abundance and diversity increased with reef health and bathymetry. However, a clear loss of gorgonian diversity existed with increased sedimentation and reduced light due to anthropogenic disturbance. In particular, two distinct I. hippuris morphotypes were highly abundant between environmental clines: short-branched multi/planar colonies on healthy reefs, and long-branched bushy colonies on degraded reefs. Comparative morphological and molecular analyses using ITS2 sequence and predicted secondary structure, further corroborated haplotype differences relative to morphotypes between environments. However, unsatisfactory assignment of I. hippuris morphotypes to previously described alternatives (Isis reticulata Nutting 1910, Isis minorbrachyblasta Zou, Huang & Wang 1991) questions the validity to such taxonomic assignments. Phylogenetic analyses also confirm that the polyphyletic nature of the Isididae lies in its type species I. hippuris, being unrelated to the rest of its family members. A one-year RTE revealed three key results, that: 1) reduced survivorship of healthy reef morphotypes on degraded reefs implied the onset of lineage segregation through immigrant inviability, 2) prominent phenotypic traits were at the morphological and bio-optical levels revealing high phenotypic plasticity in healthy clones, and relative insensitivity to environmental change in degraded reef morphotypes, indicative of local adaptation leading to incipient ecological divergence, and 3) photoacclimation at the bio-optical level was not attributed to endosymbiont diversity or shuffling, with all test colonies possessing a novel clade D1a Symbiodinium. While it is clear that gorgonian taxa within the WMNP are of exceptional diversity and abundance, responses to environmental perturbation highlight three pertinent, testable ideas. Firstly, increased species richness specifically with depth in azooxanthellate taxa, invite tests of deep-reef refugia previously established through geological change. Secondly, ecological assessment targets research on informative taxa for focused systematics and mechanisms of phenotypic divergence. Thirdly, exploring intrinsic and extrinsic interactions that define the host-symbiont relationship and differential biological success using physiological and next generation sequencing approaches. These objectives would provide considerable insight into the evolutionary processes to environmental change, accelerated by anthropogenic encroachment. Taken together, this work signifies that gorgonian corals within the WMNP are of foremost diversity and concern, exhibiting informative ecological and mechanistic responses to environmental perturbation. This evidence elicits tests of deep-reef refugia, priority systematics, mechanisms of ecological divergence and physiological assessment. Such tests inevitably expand our understanding of the intrinsic and extrinsic associations of gorgonian taxa to environmental change from an historical and predictive perspective yielding benefits to conservation assessment and management.</p>

The Pacific Wing-Oyster, Pteria sterna, off San Diego, California

Pteria sterna is an eastern Pacific pearl oyster of commercial value from Peru to central Baja California, Mexico. The continuous presence of this species in San Diego for a decade is unique as it is approximately 600 km north of the expected range for the species. A minimum of three generations are present in Mission Bay at any point in time and the preferred substrate for attachment are gorgonian corals. The species is also found off shore in cooler water. The continued presence of this oyster raises the question as to the status of this population; is it a permanent range extension or simply a transient population and what has changed that allowed its continued presence?

PHYLOGENETIC ANALYSIS AND SPECIES IDENTIFICATION OF 11 GORGONIAN CORALS (OCTOCORALLIA: ALCYONACEA) IN THE NORTH CENTRAL COAST OF VIETNAM BASED ON MSH1MTDNA AND 28S RDNA MARKERS

Vietnam contains diverse marine ecosystems with the high biodiversity of marine organisms, including gorgonian corals of Alcyonacea order. In order to support traditional classification of these corals, in this study mitochondrial barcoding markers msh1 and nuclear 28S rDNA were developed for analysis of 11 specimens collected in 2015 and 2016 from different islands and bays along the North Central coast of Vietnam. Phylogenetic analyses based on msh1 and 28S sequence polymorphism showed that all specimens belonged to Anthozoa class, Octocorallia sub-class and Alcyonacea order. At lower taxa levels, they were divided into 4 sub-orders, 7 families and 7 genera according to 7 distinct clades with bootstrap values from 99-100%.The identifications of 7 out of 11 specimens including Sinularia brassica (2 specimens)and Sinularialeptoclados, Dichotellagemmacea, Annella reticulata, S. conferta and S. nanolobata were in concordance between morphological and molecular methods. The other 4 specimens were only identified at genus levels of Astrogorgia sp., Melithaea sp. Scleronephthya sp. and Muricella sp. by either msh1-morphology or msh1-28S markers. These results highlight the importance of molecular markers to elucidate patterns of biodiversity and species identification of soft coral.

Cyanobacteria-shrimp colonies in the Mariana Islands

Cyanobacteria have multifaceted ecological roles on coral reefs. Moorena bouillonii, a chemically rich filamentous cyanobacterium, has been characterized as a pathogenic organism with an unusual ability to overgrow gorgonian corals, but little has been done to study its general growth habits or its unique association with the snapping shrimp Alpheus frontalis. Quantitative benthic surveys, and field and photographic observations were utilized to develop a better understanding of the ecology of these species, while growth experiments and nutrient analysis were performed to examine how this cyanobacterium may be benefiting from its shrimp symbiont. Colonies of M. bouillonii and A. frontalis displayed considerable habitat specificity in terms of occupied substrate. Although found to vary in abundance and density across survey sites and transects, M. bouillonii was consistently found to be thriving with A. frontalis within interstitial spaces on the reef. Removal of A. frontalis from cyanobacterial colonies in a laboratory experiment altered M. bouillonii pigmentation, whereas cyanobacteria-shrimp colonies in the field exhibited elevated nutrient levels compared to the surrounding seawater.

Mesophotic gorgonian corals evolve multiple times and faster than deep and shallow lineages

1.SummaryMesophotic Coral Ecosystems (MCEs) promise hope for the shallow-water biota enduring rising temperatures and multiple environmental stressors. Using a time-calibrated molecular phylogeny (mtDNA: mtMutS), we examined the lineage membership of mesophotic gorgonian corals (Octocorallia: Cnidaria) in comparison to shallow and deep-sea lineages of the wider Caribbean-Gulf of Mexico and the Tropical Eastern Pacific. Our results show mesophotic gorgonians originating multiple times from old deep-sea octocoral lineages, whereas shallow-water species comprise younger lineages. The mesophotic gorgonian fauna in the studied areas are related to their zooxanthellate shallow-water counterparts in only two clades (Gorgoniidae and Plexauridae), where the shallow-deep gradient could serve as a driver of diversification. Interestingly, mesophotic clades have diversified faster than either shallow or deep clades. One of this groups with fast diversification is the family Ellisellidae, a major component of the mesophotic gorgonian coral assemblage worldwide.

Chemical Constituents and Bioactivities of Gorgonian Corals

Gorgonian corals are considered as a rich source of secondary metabolites with unique structural features and biological activities. A large number of novel metabolites with potent pharmacological properties have been isolated from gorgonian corals. Some of these compounds have exhibited to possess new mechanisms of action, which hold great promises as potential lead compounds in future marine drug development. This review aims to provide an overview of chemical constituents and biological activities of gorgonian corals from 2015 to December, 2019. Some 145 metabolites, including 16 sesquiterpenoids, 62 diterpenoids, 62 steroids and 5 alkaloids were reported during this period and their pharmacological activities were investigated. Moreover, the peculiar structure and potential medicinal value of these new compounds are discussed in this review.