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

{"title":"Structure-antimicrobial activity relationship of a series of functionalized arylbenzothiazoles","authors":"A. Fatma, M. E. Arbi, M. S. Veitía, Mamdouh Ben Ali, C. Ferroud","doi":"10.3390/MOL2NET-04-06133","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06133","url":null,"abstract":"The antibacterial activity of a series of functionalized arybenzothiazoles was investigated against Gram-positive pathogens including Staphylococcus aureus (ATCC 9144), Micrococcus luteus (LB14110), Salmonella enterica (NCTC 6017) and Gram-negative foodborne Pseudomonas aeruginosa (ATCC 9027), Escherichia coli (ATCC 8739). The antifungal activity was also evaluated against the opportunistic pathogenic yeast Candida albicans (ATCC 2091). The results displayed that these compounds exhibit a good antimicrobial activity compared with fusidic acid. The structure-antimicrobial activity relationships are also discussed","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"164 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88284494","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}

{"title":"The regulation of emerging technologies: is it possible to stem the tide?","authors":"A. Duardo-Sánchez","doi":"10.3390/MOL2NET-04-06131","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06131","url":null,"abstract":"Legal norms, generally, go very far behind social relations. By the time a norm comes to see the light, it is quite possible that the situation that it intends to regulate has changed and this - the norm - is outdated and ineffective from its very birth. Well, let us think the more difficult is the relationship between Law and emerging technologies; since, in order for them to be effectively regulated, it is necessary that there is a noticeable degree of anticipation on the part of the legislator. The task seems unfeasible, however, we believe that it is possible and essential to find, among the international legal acquis, a minimum standard establish the margins of action of scientific work, without suppose a brake for progress.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79032169","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}

{"title":"Antimicrobial and anticancer activities of bisacodyl and it’s deacetylated metabolite DDPM","authors":"A. Fatma, Ricco Christophe, E. Mehdi, S. Maité, Ben Ali Mamdouh, F.G.D.A. Clotilde","doi":"10.3390/MOL2NET-04-06130","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06130","url":null,"abstract":"The antibacterial activity of bisacodyl and its deacetylated metabolite, DDPM was investigated against Gram-positive pathogens including Staphylococcus aureus (ATCC 9144), Micrococcus luteus (LB14110), Salmonella enterica (NCTC 6017) with minimal inhibitory concentration (MIC) ranging from 12.5 to 25 μg/mL, 6.25 to 12.5 μg/mL and 25 to 50 μg/mL respectively. The results of antibacterial activity against Gram-negative foodborne Pseudomonas aeruginosa (ATCC 9027), Escherichia coli (ATCC 8739), show MIC values between 12.5-25 μg/mL and 25-50 μg/mL. The antifungal activity was also evaluated against the opportunistic pathogenic yeast Candida albicans (ATCC 2091) with MIC ranging from 12.5 to 25 μg/mL. Furthermore, the anticancer activity was evaluated against epithelial cervical cancer cell line (ATCC, Manassas,VA, USA). The results obtained indicated that bisacodyl and its deacetylated metabolite, DDPM have a cytotoxic activity at 63.69 μg/mL and 16.7 μg/mL respectively.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"212 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76211621","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}

{"title":"Halotolerant PGPB Seed biopriming Induces wheat salinity tolerance","authors":"A. H. Brahim, J. Mouna, Hmani Houda, Daoued Lobna, B. Manel, Akremi Asmahen, Naser Aliye Feto, Samir Bejr, Mamdouh Ben Ali","doi":"10.3390/MOL2NET-04-06127","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06127","url":null,"abstract":"Salinity is one of the most severe abiotic stresses limiting crop yield. Salt-affected area in Tunisia is fast escalating due to intrusion of saline water on arable land and use of chemical fertilizers and pesticides. Thus, a great effort is required to preserve crop production under limiting factors. \u0000The present study was conducted to isolate and identify PGPB associated with two halophyte plants from coastal saline site. These strains were tested for improved crop productivity under salinity conditions. Four strains namely MA9, MA14, MA17 and MA19 were selected \u0000The PGPB-inoculated plants were relatively healthy and hydrated, whereas the uninoculated plant leaves were desiccated in the presence of 125 mM NaCl. The percentage of water content (PWC) in the plant was also significantly higher in inoculated plants compared to uninoculated ones. Under greenhouse experiments, our data revealed that experiments using seed biopriming on non-sterile soil supplemented with NaCl permitted to identify the most efficient isolates which offered the best vegetable criteria by significantly increasing root and shoot length, root and shoot dry weights, area of the root system and thousand seed mass in plant growth trials. The benefic effect of seed biopriming was more pronounced in soil samples added with NaCl than that of untreated soil. \u0000Seed biopriming by efficient PGPB strains induced salinity tolerance of wheat and therefore enhanced their productivity under salinity.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"15 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80512407","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}

{"title":"Study of the translocation mechanism of octopamine in the dopamine transporter. New insights from molecular simulation studies.","authors":"A. Fierro, S. Arancibia","doi":"10.3390/MOL2NET-04-06129","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06129","url":null,"abstract":"A different monoaminergic system (MS) of fundamental importance in invertebrates compared with mammals is the octopaminergic system, which exerts and regulates different central and peripheral processes by specific receptors and transporters. Despite the abundant information available on the functions of octopamine and their receptors in insect physiology, differences associated at octopamine re-uptake process in this neural system remain unexplored. Using AutoDock 4.0 (1) dopamine (DA) and octopamine (OA) were evaluated in the crystal structure of Drosophila melanogaster DAT (PDBid: 4XP1). The complex DAT/ligand was inserted into a POPC membrane, solvating with water model TIP3. The PBC and NPT ensemble was used to perform MD calculations for 20 ns using NAMD 2.6 (2). Finally steered molecular dynamics simulations fixed the center of mass of the ligands and a constant velocity protocol was employed, with a pulling velocity of 0.0001 A/timestep, for 40 ns and SMD spring constant to each system was 4 Kcal/mol/A2. Thus, force profile determination to DA and OA crossing DAT were obtained using steered molecular dynamics simulations. Our computational results show a similar profile to both substrates in DAT. \u0000 \u0000 \u0000References. \u0000(1) Autodock: G. Morris, R. Huey, A. Olson, Using AutoDock for ligand-receptor docking. Current Protocols in Bioinformatics, (2008) chapter 8 Unit 8.14. \u0000(2) NAMD: J. Phillips, R. Braun, W. Wang, J. Gumbart, E. Tajkhorshid, E. Villa, C. Chipot, R. Skeel, L. Kale, K. Schulten, Scalable molecular dynamics with NAMD. Journal of Computational Chemestry, (2005) 26 1781–1802.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"15 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90190110","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}

{"title":"Structural characterization of the FcDFR1-Dihydroflavonols interactions using Molecular dynamic symulation","authors":"Carolina Parra-Palma, M. Moya-León, P. Ramos","doi":"10.3390/MOL2NET-04-06128","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06128","url":null,"abstract":"Dihydroflavonol 4-reductase (DFR) is a pivotal enzyme in the flavonoid biosynthesis pathway catalyzing the last common step that leads to anthocyanins and proanthocyanidins. DFR promotes the reduction of three dihydroflavonols: dihydrokaempferol (DHK), dihydroquercetin (DHQ) and dihydromyricetin (DHM) to leucoanthocyanidins. These substrates differ only in the number of hydroxyl groups on the B phenyl ring: only one, two or three to DHK, DHQ and DHM respectively. Recently, a new variant of DFR (DFR1), which showed an unusual preference for only DHK was identified in strawberry, meanwhile DFR2 can convert any of the three dihydroflavonols. A region of 26 amino acid residues could be relevant to identify the substrates, proposed as the binding pocket of B phenyl ring of dihydroflavonols, where an asparagine residue could be critical. To determine the importance of these differences in both proteins, a characterization at structural level by homology model methodology was carried out to FcDFR1 and FcDFR2 from the Chilean strawberry (Fragaria chiloensis). Additionally, by molecular dynamics simulation we identify differences in substrate binding mode of the proteins with DHK and DHQ. Phylogenetic analyses grouped FcDFR1 and FcDFR2 into separate clades. FcDFR1 and FcDFR2 sequences consist of 341 and 350 amino acid residues respectively, and share 78.6% sequence identity. The most important differences were found in the region that is important for substrate identification. FcDFR1 and FcDFR2 structures were obtained through comparative modeling, showing a RMSD of 2.39 A. Regarding protein-ligand interactions, in FcDFR2 a strong and stable interaction between Asn133 and the 3'-OH group on ring B of DHQ was determined by molecular dynamics simulations, but not in FcDFR1, where the equivalent residue is Ala135. In contrast, DHK without 3'-OH group could be transformed by both enzymes as stable interactions were determined. The data provides an explanation of why DFR1 could interact with DHK and not with DHQ.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90095894","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}

{"title":"Bacillus sp.BCLRB2: An efficient diazotrophic Halotolerant PGPB strain","authors":"A. H. Brahim, Daoued Lobna, J. Mouna, Akremi Asmahen, Hmani Houda, B. Manel, Naser Aliye Feto, Samir Bejr, Mamdouh Ben Ali","doi":"10.3390/MOL2NET-04-06126","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06126","url":null,"abstract":"Novel agricultural technologies are required to improve food production in saline and dry soils. Based on a finding made by farmers who noticed a good growth and a reduced incidence of phytopathogenic infections of wheat grown between the rows of olive trees, we have screened diazotrophic endophytic PGPB associated with olive tree for plant stress tolerance improving capability. Strains were selected following a biochemical characterization of plant growth promotion activities such as ability of antimicrobial production, azote fixation, ACC deaminase production, growth hormone production, Phosphate solubilization… \u0000Among the selected strains, BCLRB2 was the strain that shown the most efficient capacity to fix atmospheric nitrogen, which is the most prominent factor of all plant growth parameters under stressful environments. The strain BCLRB2, identified as Bacillus sp, had ACC deaminase, and highly stimulatory effect in vitro associated with high production of hydrolytic enzymes, AIA, and solubilization of tricalcium phosphate. The efficiency of BCLRB2 strain was explored for in vivo pot plant growth. As a result, inoculated plants with Bacillus sp. BCLRB2, showed the best growth of durum wheat seedlings compared to a control under salt stress and natural conditions. Total length, fresh weight, and total dry weight were significantly higher in inoculated plants compared to uninoculated ones. \u0000 \u0000The Bacillus sp.BCLRB2 is approved to be an efficient diazotrophic Halotolerant PGPB strain","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"66 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86633194","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}

{"title":"PROJECT PORTFOLIO SELECTION FROM A PRIORITY RANKING WITH SYNERGIC EFFECTS","authors":"Claudia Gómez-Santillán, E. Fernández, Nelson Rangel-Valdez, H. Fraire-Huacuja, L. Cruz-Reyes","doi":"10.3390/mol2net-04-06124","DOIUrl":"https://doi.org/10.3390/mol2net-04-06124","url":null,"abstract":"In this paper, a good portfolio is found through an ant colony algorithm (including a local search) that approximates the Pareto front regarding some kind of project categorization, cardinalities, synergy, discrepancies with priorities given by the ranking, and the average rank of supported projects; this approach is an improvement that includes synergy in the preferences model. The available information is only projects’ ranking and costs, a list of projects that are in synergy and usually, resource allocation follows the ranking priorities until they are depleted. The results show that our proposal obtains good results for different types of decision makers such as: conservative, strict or relaxed.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"90 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76742006","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}

{"title":"Xenopus snc-RNA genes are predominantly located within TEs and are differentially expressed in regenerative and non-regenerative stages after spinal cord injury.","authors":"D. Araya, B. Valdebenito, Johany Peñailillo, J. Larraín, Gonzalo Riadi","doi":"10.3390/MOL2NET-04-06122","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-06122","url":null,"abstract":"The early development stages of the frog Xenopus laevis are known as the regenerative (R) stage, because during that time, it is able to regenerate. After its metamorphosis into a frog, X. laevis goes into its non-regenerative (NR) stage. It has been reported that there are differences in the gene repertoire expressed at each stage after spinal cord injury, and also in its timing. One molecular agent that might influence gene expression and its timing are small non-coding RNAs (snc-RNAs). To gain insights into the role of snc-RNAs, in this work we aimed to investigate their differential expression between the R and the NR stages and their origins in genome regions. We have performed small RNA sequencing and differential expression analysis between the R and the NR stages. The majority of sequenced snc-RNAs have high quality, and their lengths suggest that the majority belong to the small interfering or, to the micro RNA class. In average, 98% of the ~50 million sequences completely aligned to X. laevis genome, and ~45% of them represent novel snc-RNAs. The snc-RNAs were further classified in 2.238 families, using as criteria their genomic location: ~49% of novel snc-RNA are in TEs regions. ~53% of families have their origins in genes (~33% in intronic regions) and ~47% in intergenic regions. 374 novel snc-RNAs are differentially expressed. 289 come from TEs, 250 of which are in intergenic regions and 39 are in intronic regions. These results, taken together with the differentially expressed genes, will help understanding the spinal cord regeneration process in frogs.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"39 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79863890","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}

{"title":"Hyperheuristics for indirect elicitation of outranking model’s parameters in Project Portfolio Optimization","authors":"Nelson Rangel-Valdez, E. Fernández, L. Cruz-Reyes, Claudia Gómez-Santillán, Lucila Morales-Rodríguez","doi":"10.3390/mol2net-04-06123","DOIUrl":"https://doi.org/10.3390/mol2net-04-06123","url":null,"abstract":"One of the main problems that face Multi-Objective Evolutionary Algorithms (MOEAs) when approximating the best compromise solutions is a proper a priori incorporation of the Decision Maker’s (DM) preferences. Particularly, when these methods rely on outranking approaches, they need eliciting several parameters. Given that his task is of great cognitive effort for a DM, it is performed indirectly through a battery of examples that (s)he provides previously and that reflex the desired preferences. So far, only metaheuristics have been used to transform such examples into parameters’ values of specific preference models. The present research propose an architecture for a hyperheuristic that integrates characterization and performance analysis into the elicitation process. It is expected that a good combination the metaheuristic could improve the quality of parameters estimated.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76336620","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}