Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition最新文献_第3页

In silico design of halogenated carbohydrate mimetics as potential halogen-bonding ligands 卤化碳水化合物模拟物作为潜在卤素键配体的计算机设计

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2019-01-06 DOI: 10.3390/mol2net-04-06125

Rafael Nunes, N. Xavier, Paulo J. Costa

{"title":"In silico design of halogenated carbohydrate mimetics as potential halogen-bonding ligands","authors":"Rafael Nunes, N. Xavier, Paulo J. Costa","doi":"10.3390/mol2net-04-06125","DOIUrl":"https://doi.org/10.3390/mol2net-04-06125","url":null,"abstract":"1749-016 Lisboa, Portugal Abstract The molecular recognition of carbohydrates by proteins is characterized by the presence of classical hydrogen bonds stabilizing binding together with an important contribution from other intermolecular interactions conferring high specificity. [1] The design of glycomimetic ligands as modulators of protein-carbohydrate binding events is a common approach in the context of chemical glycobiology [2] and carbohydrate-based drug discovery. [3] While a diversity of functional groups has been successfully introduced in carbohydrate structures, [2] the use of halogens has been largely neglected, except for fluorine. However, heavier halogens (X = Cl, Br, or I) can establish highly directional, R–X ××× B interactions with Lewis bases (B), known as halogen bonds (HaB). These interactions have been mostly explained by the presence of an electropositive site at the outermost region of X species, named sigma-hole. [4] HaB-mediated molecular recognition phenomena are widespread across biological systems and have been used as tools in medicinal chemistry, [5]","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88343011","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

ANÁLISIS ÉTICO Y JURÍDICO SOBRE EL USO DE LA TÉCNICA CRISPR-CAS9 EN LA TERAPIA GÉNICA APLICADA EN HUMANOS CRISPR-CAS9技术在人类基因治疗中的应用的伦理和法律分析

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2019-01-06 DOI: 10.3390/MOL2NET-04-06121

C. Ramos

引用次数: 0

First draft genome sequencing of the Salicola genus Salicola属的基因组测序初稿

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2019-01-05 DOI: 10.3390/mol2net-04-06117

L. Daoud, A. H. Brahim, Houda Hmani, Mouna Jlidi, M. Ali, S. Bejar, Naser Aliye Feto, Mamdouh Ben Ali

{"title":"First draft genome sequencing of the Salicola genus","authors":"L. Daoud, A. H. Brahim, Houda Hmani, Mouna Jlidi, M. Ali, S. Bejar, Naser Aliye Feto, Mamdouh Ben Ali","doi":"10.3390/mol2net-04-06117","DOIUrl":"https://doi.org/10.3390/mol2net-04-06117","url":null,"abstract":"Salicola sp. strain SBJ9 is an extremely halophilic bacterium newly isolated from a hypersaline lake in Sfax (Tunisia). It is an aerobic Gram negative bacterium, bacilli shaped and motile. The strain SBJ9 grows optimally at 150 g/l (2.57 M) NaCl, 35 °C and pH 7 and it is able to hydrolyze proteins and lipids at high salinities. Actually, Salicola genus contains only two species (S. marasensis and S. salis). This research reported the first draft genome of a bacterium belonging to Salicola and the different obtained and annotated sequences and genes. Salicola sp. strain SBJ9 genomic sequence contains 4.643.441 bp with a G+C content of 60.52%. The annotation monitored by the RAST server reveals 65 RNA sequences and 3995 coding genes including 255 and 182 sub-systems of protein metabolism and lipids, respectively. The further analysis of SBJ9 genomic sequence will clarify the ideas regarding the adaptation of the Salicola strains and their proteins to the extremely high salt concentrations and will permit the development of new biocatalyzers for industrial applications.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89443687","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Elucidating the role of the intracellular pH sensing mechanism of TASK-2 K2P channel 阐明task - 2k2p通道在细胞内pH感应机制中的作用

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2019-01-05 DOI: 10.3390/mol2net-04-06119

W. González, Daniel Bustos, F. Sepúlveda, Guierdy Concha, Leandro Zúñiga

{"title":"Elucidating the role of the intracellular pH sensing mechanism of TASK-2 K2P channel","authors":"W. González, Daniel Bustos, F. Sepúlveda, Guierdy Concha, Leandro Zúñiga","doi":"10.3390/mol2net-04-06119","DOIUrl":"https://doi.org/10.3390/mol2net-04-06119","url":null,"abstract":"Two-pore domain potassium (K2P) channels are responsible for maintaining the background conductance essential to the resting membrane potential. K2P channels assemble as dimers containing two pore-forming domains and four transmembrane segments per subunits. Two fenestrations connect the lipid membrane with the central conduction cavity, which can be open or closed depending of the movements of helix TM4. TALK subfamily of K2P channels is activated by alkaline extracellular pH and is formed by 3 members: TALK-1, TALK-2 and TASK-2. TASK-2 is also gated by intracellular pH (pHi), being closed by intracellular acidification and activated by increasing pHi. The neutralization of lysine positioned at the end of TM4 helix, and probably within the fenestrations, by a mutation to K245A abolishes pHi-gating . The molecular mechanism by which pHi-sensing K245 exerts its gating role is unknown. A possible mechanism suggest that K245 protonated is able to open the fenestrations and therefore close the channel. Through computational studies, we modeled the 3D structure of TASK-2 channel in both fenestration states, these models were used as a starting point to perform molecular dynamics simulations. The trajectories analysis reveals a good agreement between the pK1/2 of K245 obtained experimentally and the pKa predicted MOL2NET, 2018, 4, http://sciforum.net/conference/mol2net-04 2 when the fenestrations are closed. Besides, we proved that Norfluoxetine compound is a potent blocker of TASK-2 channels and its putative binding site is within the fenestrations (data not shown).","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78531877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Production, partial purification, characterization, and application as laundry detergent additive of an alkalophilic protease from Bacillus velezensis strain F35 velezensis菌株F35嗜碱蛋白酶的生产、部分纯化、特性和作为洗衣粉添加剂的应用

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2019-01-05 DOI: 10.3390/mol2net-04-06114

B. Jaouadi, Wacim Bejar, Hatem Rekik, Sondes Mechri, Nadia Zaraî Jaouadi, S. Bejar, Najah Jmal

引用次数: 0

Purification and biochemical characterization of a novel detergent-stable serine alkaline protease from Bacillus safensis strain RH12 一种新型洗涤稳定丝氨酸碱性蛋白酶的纯化及生化特性研究

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2019-01-05 DOI: 10.3390/MOL2NET-04-06116

B. Jaouadi, Hatem Rekik, Nadia Zaraî Jaouadi, F. Gargouri, Wacim Bejar, F. Frikha, Najah Jmal, S. Bejar

{"title":"Purification and biochemical characterization of a novel detergent-stable serine alkaline protease from Bacillus safensis strain RH12","authors":"B. Jaouadi, Hatem Rekik, Nadia Zaraî Jaouadi, F. Gargouri, Wacim Bejar, F. Frikha, Najah Jmal, S. Bejar","doi":"10.3390/MOL2NET-04-06116","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06116","url":null,"abstract":"A novel protease (SAPRH) was hyper-produced (9000 U/mL) from Bacillus safensis RH12, a newly isolated enzyme from a Tunisian offshore oil field. The enzyme was purified to homogeneity, using salt precipitation, heat-treatment and FPLC anion-exchange chromatography (Fast protein liquid chromatography). SAPRH was a monomer of molecular mass of ~28 kDa. The NH2-terminal 23 amino-acid sequence of SAPRH showed high homology with those of Bacillus-proteases. SAPRH displayed optimal activity at pH 9 and 60 °C. It was strongly inhibited by (PMSF, Phenylmethane sulfonyl fluoride) and (DFP, Diisopropylfluorophosphate), indicating that it belongs to the serine-proteases family. One of the most distinctive properties is its catalytic efficiency, which is higher than that of Alcalase 2.5 L, type DX (commercial enzyme) and SAPB from Bacillus pumilus strain CBS. Interestingly, the results of the wash performance analysis demonstrated considerably good de-staining at 40 °C for 30 min with low supplementation (500 U/mL). The sapRH gene, which encodes the serine alkaline protease SAPRH, from Bacillus safensis strain RH12, was isolated and its DNA sequence was determined. The highest sequence identity value (97%) was obtained with SAPB from B. pumilus strain CBS, with only 9 amino-acids of difference. The region, encoding SAPRH was SciForum heterologously expressed in E. coli BL21AITM cells using GATEWAYTM pDESTTM17 expression-vector.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72778310","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Modeling Personality Influence over Preference Model’s Parameter Values 个性对偏好模型参数值的影响建模

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2019-01-05 DOI: 10.3390/MOL2NET-04-06113

María Lucila Morales Rodríguez, Jorge Castro-Rivera, Nelson Rangel-Valdez, Claudia Gómez-Santillán, L. Cruz-Reyes, H. Fraire-Huacuja

引用次数: 0

Can Fusion Transcripts between a transposable element and an exon generate piRNAs in mouse (Mus musculus)? 转座因子和外显子之间的融合转录本能否在小鼠(小家鼠)中产生pirna ?

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2019-01-05 DOI: 10.3390/MOL2NET-04-06118

Bairon Hernández, Gonzalo Riadi

{"title":"Can Fusion Transcripts between a transposable element and an exon generate piRNAs in mouse (Mus musculus)?","authors":"Bairon Hernández, Gonzalo Riadi","doi":"10.3390/MOL2NET-04-06118","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06118","url":null,"abstract":"A Fusion Transcript (FT) is a RNA molecule product of cis/trans-splicing of two differently annotated elements, either genes or Transposable Elements (TE). It may be coding or non-coding. There are many examples of gene-gene FTs in cancer. Lately, FTs have been also reported in control conditions in different organisms. Moreover, other authors argue that a FT might be a product of artifacts, either experimental or computational. In a recent work, we have developed a pipeline to predict FTs between an exon and a TE. In it, we have found 813 exon-TE FTs from 438 different genes. This prediction was made starting with RNA-seq data from Nucleus Accumbens in mouse (M. musculus) treated with cocaine vs. control. From that group, 20 candidates were taken and all were validated experimentally through PCR. However, the depth of sequencing is low. We can further gather supporting evidence of their expression by filtering the candidates, which could be regulated by small RNAs, the same way piRNAs regulate TEs. We aligned around 5 million mouse piRNAs against the 813 mouse exon-TE Fts, identifying 112 piRNAs that map only across the juction point of exon-TE FTs, in 56 genes. These piRNAs do not map on the reference genome or on the transcriptome sequences. These results suggest that either: 1) piRNAs might regulate the expression of exon-TE FTs, or 2) the exon-TE Fts may be the origin of piRNAs. In either case, they suggest that exon-TE FTs may express in germline. Grant Fondecyt #11140869.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90837299","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Challenges for implementing Next Generation Sequencing (NGS) of benthic macrofauna challenges, in the evaluation of marine environmental quality 实施底栖大型动物下一代测序(NGS)的挑战，在海洋环境质量评价中的挑战

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2019-01-05 DOI: 10.3390/MOL2NET-04-06112

Gerardo J. Martí-Chillón, A. Luis, Mónica Díez-Díaz, J. Gavilá, J. R. García-March, José Tena Medialdea, F. Codoñer

{"title":"Challenges for implementing Next Generation Sequencing (NGS) of benthic macrofauna challenges, in the evaluation of marine environmental quality","authors":"Gerardo J. Martí-Chillón, A. Luis, Mónica Díez-Díaz, J. Gavilá, J. R. García-March, José Tena Medialdea, F. Codoñer","doi":"10.3390/MOL2NET-04-06112","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06112","url":null,"abstract":"The Water Framework Directive 2000/60/EC regulates the environmental diagnosis of the marine ecosystem, including the evaluation of species of bioindicator macroinvertebrates present in the environment. To date, these types of determinations are carried out through the morphotaxonomic identification of the benthic macrofauna present in the samples and the calculation of associated biotic indexes, a process that is time-consuming and resource-intensive, being in some cases inaccurate due to the requirement of highly specialized human resources and the difficulty of correctly identifying certain species. In this respect, DNA barcoding techniques allow the reliable identification of organisms using DNA sequencing techniques and avoiding the disadvantages of morphotaxonomic identification. On the other hand, the recent development of New Generation DNA Sequencing techniques (NGS) has allowed the development of DNA metabarcoding, i.e. the characterization of populations of organisms present in a sample using genomic data. This paper shows the fundamental challenges to be overcome in order to establish a NGS sequencing-based assessment of the marine environmental quality.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85348426","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Salicola sp. strain SBJ9: a novel extremely halophilic bacterium with an interesting protease activity Salicola sp.菌株SBJ9:一种具有有趣蛋白酶活性的新型极端嗜盐细菌

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2019-01-05 DOI: 10.3390/mol2net-04-06115

L. Daoud, A. H. Brahim, Houda Hmani, A. Akremi, Mouna Jlidi, M. Ali, S. Bejar, Naser Aliye Feto, Mamdouh Ben Ali

{"title":"Salicola sp. strain SBJ9: a novel extremely halophilic bacterium with an interesting protease activity","authors":"L. Daoud, A. H. Brahim, Houda Hmani, A. Akremi, Mouna Jlidi, M. Ali, S. Bejar, Naser Aliye Feto, Mamdouh Ben Ali","doi":"10.3390/mol2net-04-06115","DOIUrl":"https://doi.org/10.3390/mol2net-04-06115","url":null,"abstract":"A number of newly isolated halophilic microorganisms were screened for protease production. A bacterium designated as strain SBJ9 showed an important enzyme production at high salt concentrations and was then retained. The 16S DNA identification put this strain in the genus of Salicola with two reference species only. Protease production was higher at salinities ranging from 150 to 200 g/l (3.2 M) NaCl, when monitored at 35 °C and pH 7. The protease activity was optimal at 2.5 M NaCl, 40°C and pH 8, with high stability at wide ranges of salinity (1-5 M NaCl), temperatures (2070 °C) and pH values (511). It was slightly improved by 5 mM CaCl2 and totally inhibited by PMSF which indicated the dominance of serine proteases. Besides, it was perfectly stable in the presence of many detergent additives and organic solvents at high concentrations. These important features make Salicola sp. strain SBJ9 protease activity a good candidate for many industrial applications such as detergency and organic synthesis.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90236063","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0