Pub Date : 2018-12-16DOI: 10.3390/mol2net-04-05919
Mercedes Perez-Villafuerte, L. Cruz-Reyes, Nelson Rangel-Valdez, Claudia Gómez-Santillán, H. Fraire-Huacuja, M. L. Morales-Rodríguez
The problems in which there is a conflict between objectives naturally occur in the real world, in which the presence of a decision maker also intervenes. The multi-objective problem solving has been approached through many multi-objective optimization algorithms. There are a large number of algorithms available for solving these types of problems, mainly for problems of two or three objectives, but in the real world, the number of conflicting objectives is large scale. These algorithms provide a large number of solutions to the decision-maker but, even though all are good and efficient solutions under the Pareto dominance paradigm (efficient solutions known as Non-dominated), this does not fully solve the problem, because this large number of solutions found can overwhelm the decision maker at the moment of selecting what he considers best for him. This is why there is an emerging area in multi-objective optimization, in which the preferences of decision-makers are incorporated, but these can be done at different times in the optimization process: a priori, a posteriori and interactively. The authors have addressed various mechanisms for the articulation of preferences, for example, statistical methods, reference points, weights, to name just a few. In the review, it is found that the use of reference points is the most used method currently. In this paper, we present a review of some outstanding works that approach the obtaining and incorporation of preferences of the decision maker in the process of multiobjective optimization, but in an interactive way. One of the of the revised algorithms and that has generated the most interest in the group of collaborators is InDM2 (Nebro et al., 2018), which combines multi-objective dynamic optimization, multicriteria decision making and interactivity using the visualization of the approximate regions of interest in optimization time; the preferences are expressed through reference points that can be changed at the disposal of the DM during the execution time. Given the limitation of the visualization of conflicting objectives, the problems solved by this metaheuristic are limited to bi-objective problems. In addition to the review of other algorithms, the proposal in which we are currently working is presented, an interactive proposal for multiobjective optimization for large-scale problems. This proposal is based on the elicitation of the preferences of the decision maker through reference sets that are transformed to parameters that are used during the search using a preferential model based on outranking. Currently, this proposal has been analyzed through the solution of the Project Portfolio Problem and the decision maker's satisfaction evaluation has been implemented through the introduction of preferential profiles, which are an emulated representation of a real decision maker. To our knowledge, since there is no general definition that associates the mechanisms of incorporation of preferences
{"title":"A brief review of multi-objective optimization proposals that interactively incorporate preferences.","authors":"Mercedes Perez-Villafuerte, L. Cruz-Reyes, Nelson Rangel-Valdez, Claudia Gómez-Santillán, H. Fraire-Huacuja, M. L. Morales-Rodríguez","doi":"10.3390/mol2net-04-05919","DOIUrl":"https://doi.org/10.3390/mol2net-04-05919","url":null,"abstract":"The problems in which there is a conflict between objectives naturally occur in the real world, in which the presence of a decision maker also intervenes. The multi-objective problem solving has been approached through many multi-objective optimization algorithms. There are a large number of algorithms available for solving these types of problems, mainly for problems of two or three objectives, but in the real world, the number of conflicting objectives is large scale. These algorithms provide a large number of solutions to the decision-maker but, even though all are good and efficient solutions under the Pareto dominance paradigm (efficient solutions known as Non-dominated), this does not fully solve the problem, because this large number of solutions found can overwhelm the decision maker at the moment of selecting what he considers best for him. This is why there is an emerging area in multi-objective optimization, in which the preferences of decision-makers are incorporated, but these can be done at different times in the optimization process: a priori, a posteriori and interactively. \u0000The authors have addressed various mechanisms for the articulation of preferences, for example, statistical methods, reference points, weights, to name just a few. In the review, it is found that the use of reference points is the most used method currently. \u0000In this paper, we present a review of some outstanding works that approach the obtaining and incorporation of preferences of the decision maker in the process of multiobjective optimization, but in an interactive way. \u0000One of the of the revised algorithms and that has generated the most interest in the group of collaborators is InDM2 (Nebro et al., 2018), which combines multi-objective dynamic optimization, multicriteria decision making and interactivity using the visualization of the approximate regions of interest in optimization time; the preferences are expressed through reference points that can be changed at the disposal of the DM during the execution time. Given the limitation of the visualization of conflicting objectives, the problems solved by this metaheuristic are limited to bi-objective problems. \u0000In addition to the review of other algorithms, the proposal in which we are currently working is presented, an interactive proposal for multiobjective optimization for large-scale problems. This proposal is based on the elicitation of the preferences of the decision maker through reference sets that are transformed to parameters that are used during the search using a preferential model based on outranking. Currently, this proposal has been analyzed through the solution of the Project Portfolio Problem and the decision maker's satisfaction evaluation has been implemented through the introduction of preferential profiles, which are an emulated representation of a real decision maker. \u0000To our knowledge, since there is no general definition that associates the mechanisms of incorporation of preferences","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80077930","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}
Pub Date : 2018-12-16DOI: 10.3390/mol2net-04-05917
A. Monteiro, M. Scotti, L. Scotti
{"title":"MOLECULAR MODELING OF NUCLEOTIDE DERIVATIVES OF 2.5-DIHYDROFURAN-2,5-DIOL FOR EVALUATION OF POTENTIAL ANTITUBERCULAR ACTIVITY","authors":"A. Monteiro, M. Scotti, L. Scotti","doi":"10.3390/mol2net-04-05917","DOIUrl":"https://doi.org/10.3390/mol2net-04-05917","url":null,"abstract":"","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80812800","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}
Pub Date : 2018-12-16DOI: 10.3390/mol2net-04-05916
N. Semmar, A. Sarraj-Laabidi, A. Hammami-Semmar
Graphical Abstract Abstract. Metabolism represents highly organized system characterized by strong regulations satisfying the mass conservation principle. In this work, a new simplex-based simulation approach was developed to learn scaffold information on metabolic processes controlling molecular diversity from a wide set of observed chemical structures. This approach is based on iterative in silico combinations of molecular profiles using Scheffé’s mixture design. It was illustrated by cycloartane-based saponins of Astragalus genus containing one, two or three ramification chains with variable relative glycosylation levels. Competing and sequential glycosylation processes of different carbons were highlighted by the machine-learning simplex method. Comparisons between this simplex approach and other molecular modeling approaches were made to highlight advantages and limits of the new one.
{"title":"A new simplex machine learning approach for analysis of structural chemical diversification processes. Comparison with other molecular modeling methods.","authors":"N. Semmar, A. Sarraj-Laabidi, A. Hammami-Semmar","doi":"10.3390/mol2net-04-05916","DOIUrl":"https://doi.org/10.3390/mol2net-04-05916","url":null,"abstract":"Graphical Abstract Abstract. Metabolism represents highly organized system characterized by strong regulations satisfying the mass conservation principle. In this work, a new simplex-based simulation approach was developed to learn scaffold information on metabolic processes controlling molecular diversity from a wide set of observed chemical structures. This approach is based on iterative in silico combinations of molecular profiles using Scheffé’s mixture design. It was illustrated by cycloartane-based saponins of Astragalus genus containing one, two or three ramification chains with variable relative glycosylation levels. Competing and sequential glycosylation processes of different carbons were highlighted by the machine-learning simplex method. Comparisons between this simplex approach and other molecular modeling approaches were made to highlight advantages and limits of the new one.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80956519","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}
Pub Date : 2018-12-15DOI: 10.3390/mol2net-04-05912
Pedro Peñafiel, Karem Cazares, Daniela Marizande
{"title":"Evaluation of the noise pollution of the Cevallos avenue, Ambato city, Ecuador, for the determination of critical points of affectation in the place, and to provide information that allows the generation of preventive and corrective measures to the problem","authors":"Pedro Peñafiel, Karem Cazares, Daniela Marizande","doi":"10.3390/mol2net-04-05912","DOIUrl":"https://doi.org/10.3390/mol2net-04-05912","url":null,"abstract":"","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84980070","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}
Pub Date : 2018-12-14DOI: 10.3390/MOL2NET-04-05904
M. Gombert, Alvaro Carrasco Garcia, J. Luna, P. C. Franch
The antioxidant capacity of a substance is its ability to prevent or slow down oxidation. This reaction is a transfer of electrons. The molecule catching electrons is the oxidative agent and the molecule giving electrons is the reducing agent. Oxidative stress is toxic for the cells, and it can be limited by different pathways: the inhibition of enzymes responsible of the production of oxidative species, the synthesis, activation or stabilization of antioxidant enzymes, and finally by direct scavenging of radical species. In living organisms, especially in association to the respiration process, free radicals are commonly produced. Antioxidant are naturally present to prevent damages, and therefore the antioxidant capacity of a substance is a key element to evaluate. Several methods can be employed to assess total antioxidant capacity in a liquid, one of the most famous requires the use of Di-phenyl-picryl-hydrazyl (DPPH). Brand & Williams developed in 1995 the method of assessment of antioxidant capacity based on the color change of DPPH according to its oxidation status. The oxidized DPPH is a radical, with dark purple color and in contact with antioxidant species, it is reduced and turns to yellow-green color. The amount of oxidized DPPH can be quantified at 517nm spectrophotometrically. Using a known dose of antioxidant molecule, such as Trolox, a standard curve of antioxidant can be built. The antioxidant capacity of any sample can be assessed measuring the oxidized DPPH, in Trolox equivalents. The main limitation of this method are (i) the important volume of sample required and (ii) the interference of molecules of fat present in biological fluids. A new protocol with adaptations has been developed in order to obtain efficient and reproducible antioxidant capacity measurement in very small biological samples, with a required volume 20 times smaller than in the original method. We used it for antioxidant determination of colostrum, which available quantity is very limited, and contains fat. We insist on the importance of the sonication of DPPH prior to use to obtain a good solubility of the product. We added a complementary centrifugation to get rid of the interferences caused by fat, and on the measurement of absorbance at 517 nm with a nanodrop, so that the volume required is importantly reduced. This technique could be used for the following purpose: antioxidant capacity assessment in small samples such breast milk and colostrum, but it could also be applied to the industry to assess the antioxidant capacity of dairy products, using reduced volumes. Finally, for medical use, this technique could be adopted to assess antioxidant capacity in body fluids which sample volume is very limited, such as tears for example, which determination was impossible with the previous method.
{"title":"A new procedure for the Antioxidant capacity dpph assessment in small samples.","authors":"M. Gombert, Alvaro Carrasco Garcia, J. Luna, P. C. Franch","doi":"10.3390/MOL2NET-04-05904","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-05904","url":null,"abstract":"The antioxidant capacity of a substance is its ability to prevent or slow down oxidation. This reaction is a transfer of electrons. The molecule catching electrons is the oxidative agent and the molecule giving electrons is the reducing agent. Oxidative stress is toxic for the cells, and it can be limited by different pathways: the inhibition of enzymes responsible of the production of oxidative species, the synthesis, activation or stabilization of antioxidant enzymes, and finally by direct scavenging of radical species. \u0000 \u0000In living organisms, especially in association to the respiration process, free radicals are commonly produced. Antioxidant are naturally present to prevent damages, and therefore the antioxidant capacity of a substance is a key element to evaluate. Several methods can be employed to assess total antioxidant capacity in a liquid, one of the most famous requires the use of Di-phenyl-picryl-hydrazyl (DPPH). \u0000Brand & Williams developed in 1995 the method of assessment of antioxidant capacity based on the color change of DPPH according to its oxidation status. The oxidized DPPH is a radical, with dark purple color and in contact with antioxidant species, it is reduced and turns to yellow-green color. The amount of oxidized DPPH can be quantified at 517nm spectrophotometrically. Using a known dose of antioxidant molecule, such as Trolox, a standard curve of antioxidant can be built. The antioxidant capacity of any sample can be assessed measuring the oxidized DPPH, in Trolox equivalents. The main limitation of this method are (i) the important volume of sample required and (ii) the interference of molecules of fat present in biological fluids. \u0000A new protocol with adaptations has been developed in order to obtain efficient and reproducible antioxidant capacity measurement in very small biological samples, with a required volume 20 times smaller than in the original method. We used it for antioxidant determination of colostrum, which available quantity is very limited, and contains fat. We insist on the importance of the sonication of DPPH prior to use to obtain a good solubility of the product. We added a complementary centrifugation to get rid of the interferences caused by fat, and on the measurement of absorbance at 517 nm with a nanodrop, so that the volume required is importantly reduced. \u0000This technique could be used for the following purpose: antioxidant capacity assessment in small samples such breast milk and colostrum, but it could also be applied to the industry to assess the antioxidant capacity of dairy products, using reduced volumes. \u0000Finally, for medical use, this technique could be adopted to assess antioxidant capacity in body fluids which sample volume is very limited, such as tears for example, which determination was impossible with the previous method.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79400951","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}
Pub Date : 2018-12-14DOI: 10.3390/MOL2NET-04-05909
Bernabé Ortega-Tenezaca, Viviana F Quevedo-Tumailli, Víctor Cerda Mejía, Octavio Guijarro Rubí, Estela Guardado Yordi, A. Martínez
{"title":"Web Application for Real Time Data Visualization of Heat Sensor","authors":"Bernabé Ortega-Tenezaca, Viviana F Quevedo-Tumailli, Víctor Cerda Mejía, Octavio Guijarro Rubí, Estela Guardado Yordi, A. Martínez","doi":"10.3390/MOL2NET-04-05909","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-05909","url":null,"abstract":"","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77255809","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}
: Kigelia africana is used in traditional medicine and toxicological effects of the different extracts of the fruit, bark of the stem and leaf but not of its flowers have been reported, so the present investigation aims to determine the toxic potential of the aqueous extract obtained from the flowers of Kigelia africana by the acute toxic class method in Balb/c mice. An aqueous extract of the flowers was obtained, which was administered orally at a single dose of 50, 500 and 2000 mg/kg and three Balb/c mice of different sexes were used in each level. With the administration of 50 and 500 mg/kg doses, 100% survival was obtained, the daily systematic observations, the macroscopic analysis of the organs and their body weight showed no evidence of any sign of toxicity unlike the doses of 2000 mg/kg where the deaths were observed in 48 hours being the main clinical symptoms depression of the central nervous system and polyuria marked with signs and symptoms of dehydration. The product can be classified in category
{"title":"Study of acute toxicity of an aqueous abstract obtained from the flowers of Kigelia africana in Balb/c mice","authors":"Liset Alvaré Morfa, Jorge Pérez Donato, Enoel Hernández Barreto, Sergio Sifontes Rodríguez","doi":"10.3390/MOL2NET-04-05911","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-05911","url":null,"abstract":": Kigelia africana is used in traditional medicine and toxicological effects of the different extracts of the fruit, bark of the stem and leaf but not of its flowers have been reported, so the present investigation aims to determine the toxic potential of the aqueous extract obtained from the flowers of Kigelia africana by the acute toxic class method in Balb/c mice. An aqueous extract of the flowers was obtained, which was administered orally at a single dose of 50, 500 and 2000 mg/kg and three Balb/c mice of different sexes were used in each level. With the administration of 50 and 500 mg/kg doses, 100% survival was obtained, the daily systematic observations, the macroscopic analysis of the organs and their body weight showed no evidence of any sign of toxicity unlike the doses of 2000 mg/kg where the deaths were observed in 48 hours being the main clinical symptoms depression of the central nervous system and polyuria marked with signs and symptoms of dehydration. The product can be classified in category","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77155346","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}
Pub Date : 2018-12-14DOI: 10.3390/MOL2NET-04-05905
A. Vincent
"Now and recently, confab is less about preventing and stopping an attack, threat or exposure, and more about how swiftly you can detect that an attack is happening." There's a growing demand for security information and event management (SIEM) technologies and services, which gather and analyse security event big data that is used to manage threats. Big data offers the ability to analyse immense numbers of potential security events and make connections between them to create a prioritized list of threats. With big data, distinct data can be connected, which allows cyber security professionals to take a proactive approach that prevents attacks. Advanced Persistent Threats (APTs) are also used to find and identify where threats are coming from. Integrated security architecture and power of automated information collection and sharing between many security systems, called “Counter-intelligence” to solve the strategic short comings. “Counter intelligence” translates to new security product architecture into a data collection backbone feeding a centralized repository used to correlate security anomalies from, across multiple systems. This paper illustrates the new counter intelligence approach to defend against future cyber security threats by applying modern risk analysis and mitigation methods to protect users’ private data from big data.
{"title":"Fatiguing Data to Protect against Cyber Security Extortions: A counter-intelligence methodology","authors":"A. Vincent","doi":"10.3390/MOL2NET-04-05905","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-05905","url":null,"abstract":"\"Now and recently, confab is less about preventing and stopping an attack, threat or exposure, and more about how swiftly you can detect that an attack is happening.\" There's a growing demand for security information and event management (SIEM) technologies and services, which gather and analyse security event big data that is used to manage threats. Big data offers the ability to analyse immense numbers of potential security events and make connections between them to create a prioritized list of threats. With big data, distinct data can be connected, which allows cyber security professionals to take a proactive approach that prevents attacks. Advanced Persistent Threats (APTs) are also used to find and identify where threats are coming from. Integrated security architecture and power of automated information collection and sharing between many security systems, called “Counter-intelligence” to solve the strategic short comings. “Counter intelligence” translates to new security product architecture into a data collection backbone feeding a centralized repository used to correlate security anomalies from, across multiple systems. This paper illustrates the new counter intelligence approach to defend against future cyber security threats by applying modern risk analysis and mitigation methods to protect users’ private data from big data.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80007092","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}
Pub Date : 2018-12-14DOI: 10.3390/mol2net-04-05906
G. López-Campos, Enrique Calderin
{"title":"The role of Biomedical Infromatics in Exposome research","authors":"G. López-Campos, Enrique Calderin","doi":"10.3390/mol2net-04-05906","DOIUrl":"https://doi.org/10.3390/mol2net-04-05906","url":null,"abstract":"","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73435369","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}
Pub Date : 2018-12-14DOI: 10.3390/MOL2NET-04-05910
Aïda Mascret, Hadley Mouhsine, D. Cabrera, C. Ricco, M. S. Veitía, M. Port, J. Zagury
The Tumor Necrosis Factor alpha (TNFa) is a relevant clinical target for the treatment of chronic inflammatory diseases as rheumatoid arthritis or Crohn’s disease. Anti-TNFa biotherapies are used for the treatment of these diseases. They considerably improve patient living conditions but they are not without drawbacks. They cause side effects like accrue risk of infection, some patient develop resistance to these biotherapies and they are expensive. Small molecules inhibitors of TNFa would present fewer disadvantages than existing biotherapies, less side effects, no resistance, oral administration and would probably lead to less expensive treatments. Today only few small molecules are known as direct inhibitors of TNFa, SPD304 was the first small molecule described by He et al in 2005. None of these molecules showed both an efficient activity and a low toxicity, necessary to yield them into clinical trial. The Laboratory GBA of Cnam has set-up a program aiming at finding new small molecules inhibitors of TNFa. A preview in silico docking study led to the identification of potential anti-TNFa molecules. Based on the docking results, new small molecules have been designed, synthetized and biologically evaluated. Herein we describe the biological evaluation of a series of thirty new synthetized compounds for their capacity to inhibit the TNFa. These molecules were evaluated in vitro using two different immuno-assays (binding and shifting) and cell tests on two different cell lines.
{"title":"From In Vitro to In Cellulo: Evaluation of Anti-TNFα Activity of a New Series of Small Molecules","authors":"Aïda Mascret, Hadley Mouhsine, D. Cabrera, C. Ricco, M. S. Veitía, M. Port, J. Zagury","doi":"10.3390/MOL2NET-04-05910","DOIUrl":"https://doi.org/10.3390/MOL2NET-04-05910","url":null,"abstract":"The Tumor Necrosis Factor alpha (TNFa) is a relevant clinical target for the treatment of chronic inflammatory diseases as rheumatoid arthritis or Crohn’s disease. Anti-TNFa biotherapies are used for the treatment of these diseases. They considerably improve patient living conditions but they are not without drawbacks. They cause side effects like accrue risk of infection, some patient develop resistance to these biotherapies and they are expensive. Small molecules inhibitors of TNFa would present fewer disadvantages than existing biotherapies, less side effects, no resistance, oral administration and would probably lead to less expensive treatments. Today only few small molecules are known as direct inhibitors of TNFa, SPD304 was the first small molecule described by He et al in 2005. None of these molecules showed both an efficient activity and a low toxicity, necessary to yield them into clinical trial.\u0000The Laboratory GBA of Cnam has set-up a program aiming at finding new small molecules inhibitors of TNFa. A preview in silico docking study led to the identification of potential anti-TNFa molecules. Based on the docking results, new small molecules have been designed, synthetized and biologically evaluated.\u0000Herein we describe the biological evaluation of a series of thirty new synthetized compounds for their capacity to inhibit the TNFa. These molecules were evaluated in vitro using two different immuno-assays (binding and shifting) and cell tests on two different cell lines.","PeriodicalId":20475,"journal":{"name":"Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83318469","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}
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