9 resultados para 3D Protein Modeling
em Universidade Federal do Rio Grande do Norte(UFRN)
Resumo:
Shrimp farming is one of the activities that contribute most to the growth of global aquaculture. However, this business has undergone significant economic losses due to the onset of viral diseases such as Infectious Myonecrosis (IMN). The IMN is already widespread throughout Northeastern Brazil and affects other countries such as Indonesia, Thailand and China. The main symptom of disease is myonecrosis, which consists of necrosis of striated muscles of the abdomen and cephalothorax of shrimp. The IMN is caused by infectious myonecrosis virus (IMNV), a non-enveloped virus which has protrusions along its capsid. The viral genome consists of a single molecule of double-stranded RNA and has two Open Reading Frames (ORFs). The ORF1 encodes the major capsid protein (MCP) and a potential RNA binding protein (RBP). ORF2 encodes a probable RNA-dependent RNA polymerase (RdRp) and classifies IMNV in Totiviridae family. Thus, the objective of this research was study the IMNV complete genome and encoded proteins in order to develop a system differentiate virus isolates based on polymorphisms presence. The phylogenetic relationship among some totivirus was investigated and showed a new group to IMNV within Totiviridae family. Two new genomes were sequenced, analyzed and compared to two other genomes already deposited in GenBank. The new genomes were more similar to each other than those already described. Conserved and variable regions of the genome were identified through similarity graphs and alignments using the four IMNV sequences. This analyze allowed mapping of polymorphic sites and revealed that the most variable region of the genome is in the first half of ORF1, which coincides with the regions that possibly encode the viral protrusion, while the most stable regions of the genome were found in conserved domains of proteins that interact with RNA. Moreover, secondary structures were predicted for all proteins using various softwares and protein structural models were calculated using threading and ab initio modeling approaches. From these analyses was possible to observe that the IMNV proteins have motifs and shapes similar to proteins of other totiviruses and new possible protein functions have been proposed. The genome and proteins study was essential for development of a PCR-based detection system able to discriminate the four IMNV isolates based on the presence of polymorphic sites
Resumo:
The Cumuruxatiba basin is located at the southern coast State of Bahia in northeastern of Brazil. This basin was formed in distensional context, with rifting and subsequent thermal phase during Neocomian to late Cretaceous. At Cenozoic ages, the Abrolhos magmatism occurs in the basin with peaks during the Paleocene and Eocene. In this period, there was a kinematic inversion in the basin represented by folds related to reverse faults. Structural restoration of regional 2D seismic sections revealed that most of the deformation was concentrated at the beginning of the Cenozoic time with the peak at the Lower Eocene. The post-Eocene is marked by a decrease of strain rate to the present. The 3D structural modeling revealed a fold belt (trending EW to NE-SW) accommodating the deformation between the Royal Charlotte and Sulphur Minerva volcanic highs. The volcanic eruptions have caused a differential overburden on the borders of the basin. This acted as the trigger for halokinesis, as demonstrated by physical modeling in literature. Consequently, the deformation tends to be higher in the edges of the basin. The volcanic rocks occur mainly as concordant structures (sills) in the syn-tectonic sediment deposition showing a concomitant deformation. The isopach maps and diagrams of axis orientation of deformation revealed that most of the folds were activated and reactivated at different times during the Cenozoic. The folds exhibit diverse kinematic patterns over time as response to behavior of adjacent volcanic highs. These interpretations allied with information on the petroleum system of the basin are important in mapping the prospects for hydrocarbons
Resumo:
The Baixa grande fault is located on the edge of the S-SW Potiguar Rift. It limits the south part of Umbuzeiro Graben and the Apodi Graben. Although a number of studies have associated the complex deformation styles in the hanging wall of the Baixa Grande Fault with geometry and displacement variations, none have applied the modern computational techniques such as geometrical and kinematic validations to address this problem. This work proposes a geometric analysis of the Baixa Fault using seismic interpretation. The interpretation was made on 3D seismic data of the Baixa Grande fault using the software OpendTect (dGB Earth Sciences). It was also used direct structural modeling, such as Analog Direct Modeling know as Folding Vectors and, 2D and 3D Direct Computational Modeling. The Folding Vectors Modeling presented great similarity with the conventional structural seismic interpretations of the Baixa Grande Fault, thus, the conventional interpretation was validated geometrically. The 2D direct computational modeling was made on some sections of the 3D data of the Baixa Grande Fault on software Move (Midland Valley Ltd) using the horizon modeling tool. The modeling confirms the influence of fault geometry on the hanging wall. The Baixa Grande Fault ramp-flat-ramp geometry generates synform on the concave segments of the fault and antiform in the convex segments. On the fault region that does not have segments angle change, the beds are dislocated without deformation, and on the listric faults occur rollover. On the direct 3D computational modeling, structural attributes were obtained as horizons on the hanging wall of the main fault, after the simulation of several levels of deformation along the fault. The occurrence of structures that indicates shortening in this modeling, also indicates that the antiforms on the Baixa Grande Fault were influenced by fault geometry
Resumo:
The 3D gravity modeling of the Potiguar rift basin consisted of a digital processing of gravity and aeromagnetic data, subsidized by the results of Euler deconvolution of gravity and magnetic data and the interpretation of seismic lines and wells descriptions. The gravity database is a compilation of independent geophysical surveys conducted by several universities, research institutions and governmental agencies. The aeromagnetic data are from the Bacia Potiguar and Plataforma Continental do Nordeste projects, obtained from the Brazilian Petroleum Agency (ANP). The solutions of the Euler Deconvolution allowed the analysis of the behavior of the rift main limits. While the integrated interpretation of seismic lines provided the delimitating horizons of the sedimentary formations and the basement top. The integration of these data allowed a 3D gravity modeling of basement topography, allowing the identification of a series of internal structures of the Potiguar rift, as well intra-basement structures without the gravity effect of the rift. The proposed inversion procedure of the gravity data allowed to identify the main structural features of the Potiguar rift, elongated in the NE-SW direction, and its southern and eastern faulted edges, where the sedimentary infill reachs thicknesses up to 5500 m. The southern boundary is marked by the Apodi and Baixa Grande faults. These faults seem to be a single NW-SE oriented fault with a strong bend to NE-SW direction. In addition, the eastern boundary of the rift is conditioned by the NE-SW trending Carnaubais fault system. It was also observed NW-SE oriented faults, which acted as transfer faults to the extensional efforts during the basin formation. In the central part of the residual anomaly map without the gravity effect of the rift stands out a NW-SE trending gravity high, corresponding to the Orós-Jaguaribe belt lithotypes. We also observe a gravity maximum parallel to the Carnaubais fault system. This anomaly is aligned to the eastern limit of the rift and reflects the contact of different crustal blocks, limited by the eastern ward counterpart of the Portalegre Shear Zone
Resumo:
The discussion about rift evolution in the Brazilian Equatorial margin during the South America-Africa breakup in the Jurassic/Cretaceous has been focused in many researches. But rift evolution based on development and growth of faults has not been well explored. In this sense, we investigated the Cretaceous Potiguar Basin in the Equatorial margin of Brazil to understand the geometry of major faults and the influence of crustal heterogeneity and preexisting structural fabric in the evolution of the basin internal architecture. Previous studies pointed out that the rift is an asymmetrical half-graben elongated along the NE-SW direction. We used 2D seismic, well logs and 3D gravity modeling to analyze four major border fault segments and determine their maximum displacement (Dmax) and length (L) ratio in the Potiguar Rift. We constrained the 3D gravity modeling with well data and the interpretation of seismic sections. The difference of the fault displacement measured in the gravity model is in the order of 10% compared to seismic and well data. The fault-growth curves allowed us to divide the faulted rift border into four main fault segments, which provide roughly similar Dmax/L ratios. Fault-growth curves suggest that a regional uniform tectonic mechanism influenced growth of the rift fault segments. The variation of the displacements along the fault segments indicates that the fault segments were formed independently during rift initiation and were linked by hard and soft linkages. The latter formed relay ramps. In the interconnection zones the Dmax/L ratios are highest due to interference of fault segment motions. We divided the evolution of the Potiguar Rift into five stages based on these ratios and correlated them with the major tectonic stages of the breakup between South America and Africa in Early Cretaceous.
Resumo:
The discussion about rift evolution in the Brazilian Equatorial margin during the South America-Africa breakup in the Jurassic/Cretaceous has been focused in many researches. But rift evolution based on development and growth of faults has not been well explored. In this sense, we investigated the Cretaceous Potiguar Basin in the Equatorial margin of Brazil to understand the geometry of major faults and the influence of crustal heterogeneity and preexisting structural fabric in the evolution of the basin internal architecture. Previous studies pointed out that the rift is an asymmetrical half-graben elongated along the NE-SW direction. We used 2D seismic, well logs and 3D gravity modeling to analyze four major border fault segments and determine their maximum displacement (Dmax) and length (L) ratio in the Potiguar Rift. We constrained the 3D gravity modeling with well data and the interpretation of seismic sections. The difference of the fault displacement measured in the gravity model is in the order of 10% compared to seismic and well data. The fault-growth curves allowed us to divide the faulted rift border into four main fault segments, which provide roughly similar Dmax/L ratios. Fault-growth curves suggest that a regional uniform tectonic mechanism influenced growth of the rift fault segments. The variation of the displacements along the fault segments indicates that the fault segments were formed independently during rift initiation and were linked by hard and soft linkages. The latter formed relay ramps. In the interconnection zones the Dmax/L ratios are highest due to interference of fault segment motions. We divided the evolution of the Potiguar Rift into five stages based on these ratios and correlated them with the major tectonic stages of the breakup between South America and Africa in Early Cretaceous.
Resumo:
Shrimp farming is one of the activities that contribute most to the growth of global aquaculture. However, this business has undergone significant economic losses due to the onset of viral diseases such as Infectious Myonecrosis (IMN). The IMN is already widespread throughout Northeastern Brazil and affects other countries such as Indonesia, Thailand and China. The main symptom of disease is myonecrosis, which consists of necrosis of striated muscles of the abdomen and cephalothorax of shrimp. The IMN is caused by infectious myonecrosis virus (IMNV), a non-enveloped virus which has protrusions along its capsid. The viral genome consists of a single molecule of double-stranded RNA and has two Open Reading Frames (ORFs). The ORF1 encodes the major capsid protein (MCP) and a potential RNA binding protein (RBP). ORF2 encodes a probable RNA-dependent RNA polymerase (RdRp) and classifies IMNV in Totiviridae family. Thus, the objective of this research was study the IMNV complete genome and encoded proteins in order to develop a system differentiate virus isolates based on polymorphisms presence. The phylogenetic relationship among some totivirus was investigated and showed a new group to IMNV within Totiviridae family. Two new genomes were sequenced, analyzed and compared to two other genomes already deposited in GenBank. The new genomes were more similar to each other than those already described. Conserved and variable regions of the genome were identified through similarity graphs and alignments using the four IMNV sequences. This analyze allowed mapping of polymorphic sites and revealed that the most variable region of the genome is in the first half of ORF1, which coincides with the regions that possibly encode the viral protrusion, while the most stable regions of the genome were found in conserved domains of proteins that interact with RNA. Moreover, secondary structures were predicted for all proteins using various softwares and protein structural models were calculated using threading and ab initio modeling approaches. From these analyses was possible to observe that the IMNV proteins have motifs and shapes similar to proteins of other totiviruses and new possible protein functions have been proposed. The genome and proteins study was essential for development of a PCR-based detection system able to discriminate the four IMNV isolates based on the presence of polymorphic sites
Resumo:
Chitin is an important structural component of the cellular wall of fungi and exoskeleton of many invertebrate plagues, such as insects and nematodes. In digestory systems of insects it forms a named matrix of peritrophic membrane. One of the most studied interaction models protein-carbohydrate is the model that involves chitin-binding proteins. Among the involved characterized domains already in this interaction if they detach the hevein domain (HD), from of Hevea brasiliensis (Rubber tree), the R&R consensus domain (R&R), found in cuticular proteins of insects, and the motif called in this study as conglicinin motif (CD), found in the cristallography structure of the β-conglicinin bounded with GlcNac. These three chitin-binding domains had been used to determine which of them could be involved in silico in the interaction of Canavalia ensiformis and Vigna unguiculata vicilins with chitin, as well as associate these results with the WD50 of these vicilins for Callosobruchus maculatus larvae. The technique of comparative modeling was used for construction of the model 3D of the vicilin of V. unguiculata, that was not found in the data bases. Using the ClustalW program it was gotten localization of these domains in the vicilins primary structure. The domains R&R and CD had been found with bigger homology in the vicilins primary sequences and had been target of interaction studies. Through program GRAMM models of interaction ( dockings ) of the vicilins with GlcNac had been gotten. The results had shown that, through analysis in silico, HD is not part of the vicilins structures, proving the result gotten with the alignment of the primary sequences; the R&R domain, although not to have structural similarity in the vicilins, probably it has a participation in the activity of interaction of these with GlcNac; whereas the CD domain participates directly in the interaction of the vicilins with GlcNac. These results in silico show that the amino acid number, the types and the amount of binding made for the CD motif with GlcNac seem to be directly associates to the deleterious power that these vicilins show for C. maculatus larvae. This can give an initial step in the briefing of as the vicilins interact with alive chitin in and exert its toxic power for insects that possess peritrophic membrane
Resumo:
Chitin is an important structural component of the cellular wall of fungi and exoskeleton of many invertebrate plagues, such as insects and nematodes. In digestory systems of insects it forms a named matrix of peritrophic membrane. One of the most studied interaction models protein-carbohydrate is the model that involves chitin-binding proteins. Among the involved characterized domains already in this interaction if they detach the hevein domain (HD), from of Hevea brasiliensis (Rubber tree), the R&R consensus domain (R&R), found in cuticular proteins of insects, and the motif called in this study as conglicinin motif (CD), found in the cristallography structure of the β-conglicinin bounded with GlcNac. These three chitin-binding domains had been used to determine which of them could be involved in silico in the interaction of Canavalia ensiformis and Vigna unguiculata vicilins with chitin, as well as associate these results with the WD50 of these vicilins for Callosobruchus maculatus larvae. The technique of comparative modeling was used for construction of the model 3D of the vicilin of V. unguiculata, that was not found in the data bases. Using the ClustalW program it was gotten localization of these domains in the vicilins primary structure. The domains R&R and CD had been found with bigger homology in the vicilins primary sequences and had been target of interaction studies. Through program GRAMM models of interaction ( dockings ) of the vicilins with GlcNac had been gotten. The results had shown that, through analysis in silico, HD is not part of the vicilins structures, proving the result gotten with the alignment of the primary sequences; the R&R domain, although not to have structural similarity in the vicilins, probably it has a participation in the activity of interaction of these with GlcNac; whereas the CD domain participates directly in the interaction of the vicilins with GlcNac. These results in silico show that the amino acid number, the types and the amount of binding made for the CD motif with GlcNac seem to be directly associates to the deleterious power that these vicilins show for C. maculatus larvae. This can give an initial step in the briefing of as the vicilins interact with alive chitin in and exert its toxic power for insects that possess peritrophic membrane