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In-silico: Screening and Modeling of CTL Binding Epitopes of Crimean Congo Hemorrhagic Fever Virus 克里米亚刚果出血热病毒CTL结合表位的筛选和建模
Trends in Bioinformatics Pub Date : 1900-01-01 DOI: 10.3923/TB.2012.14.24
C. Shekhar, K. Dev, S. K. Verma, Ajay Kumar
{"title":"In-silico: Screening and Modeling of CTL Binding Epitopes of Crimean Congo Hemorrhagic Fever Virus","authors":"C. Shekhar, K. Dev, S. K. Verma, Ajay Kumar","doi":"10.3923/TB.2012.14.24","DOIUrl":"https://doi.org/10.3923/TB.2012.14.24","url":null,"abstract":"","PeriodicalId":164864,"journal":{"name":"Trends in Bioinformatics","volume":"25 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115247629","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: 12
In silico Screening of Cyclooxygenase Inhibitory Molecules from Margroves 从沼泽植物中筛选环氧合酶抑制分子
Trends in Bioinformatics Pub Date : 1900-01-01 DOI: 10.3923/TB.2014.13.18
V. Manigandan, T. Ramanathan
{"title":"In silico Screening of Cyclooxygenase Inhibitory Molecules from Margroves","authors":"V. Manigandan, T. Ramanathan","doi":"10.3923/TB.2014.13.18","DOIUrl":"https://doi.org/10.3923/TB.2014.13.18","url":null,"abstract":"","PeriodicalId":164864,"journal":{"name":"Trends in Bioinformatics","volume":"33 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123659563","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
Study on the Antimalarial Activity of Actinonin Derivatives by Molecular Modeling 基于分子模拟的放线素衍生物抗疟活性研究
Trends in Bioinformatics Pub Date : 1900-01-01 DOI: 10.3923/TB.2013.17.24
Amina Merzoug, A. Chikhi, Abderrahmane Bensegueni, Khadidja Soulef Hio, H. Boucherit, E. H. Mokrani, Soumia Teniou
{"title":"Study on the Antimalarial Activity of Actinonin Derivatives by Molecular Modeling","authors":"Amina Merzoug, A. Chikhi, Abderrahmane Bensegueni, Khadidja Soulef Hio, H. Boucherit, E. H. Mokrani, Soumia Teniou","doi":"10.3923/TB.2013.17.24","DOIUrl":"https://doi.org/10.3923/TB.2013.17.24","url":null,"abstract":"","PeriodicalId":164864,"journal":{"name":"Trends in Bioinformatics","volume":"6 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127895149","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
Screening and Structure-based Modeling of T-Cell Epitopes of Marburg Virus NP, GP and VP40: An Immunoinformatic Approach for Designing Peptide-based Vaccine 马尔堡病毒NP、GP和VP40 t细胞表位的筛选和基于结构的建模:一种设计多肽疫苗的免疫信息学方法
Trends in Bioinformatics Pub Date : 1900-01-01 DOI: 10.3923/TB.2013.10.16
Ajay Kumar, A. Jain, Shraddha, S. K. Verma
{"title":"Screening and Structure-based Modeling of T-Cell Epitopes of Marburg Virus NP, GP and VP40: An Immunoinformatic Approach for Designing Peptide-based Vaccine","authors":"Ajay Kumar, A. Jain, Shraddha, S. K. Verma","doi":"10.3923/TB.2013.10.16","DOIUrl":"https://doi.org/10.3923/TB.2013.10.16","url":null,"abstract":"","PeriodicalId":164864,"journal":{"name":"Trends in Bioinformatics","volume":"17 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127152930","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: 12
In silico Secondary Structure Prediction Method (Kalasalingam University Structure Prediction Method) using Comparative Analysis 采用对比分析的硅二级结构预测方法(Kalasalingam大学结构预测方法)
Trends in Bioinformatics Pub Date : 1900-01-01 DOI: 10.3923/TB.2010.11.19
A. Mugilan, Ajitha, M. Cathrin, M. Kumar, Devi, Thinagar
{"title":"In silico Secondary Structure Prediction Method (Kalasalingam University Structure Prediction Method) using Comparative Analysis","authors":"A. Mugilan, Ajitha, M. Cathrin, M. Kumar, Devi, Thinagar","doi":"10.3923/TB.2010.11.19","DOIUrl":"https://doi.org/10.3923/TB.2010.11.19","url":null,"abstract":"","PeriodicalId":164864,"journal":{"name":"Trends in Bioinformatics","volume":"48 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125766326","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: 11
Maestro 9.4 as a Tool in the Structure Based Screening of Glycoalkaloids and Related Compounds, Targeting Aldose Reductase Maestro 9.4作为一种基于结构筛选醛糖还原酶靶糖生物碱及相关化合物的工具
Trends in Bioinformatics Pub Date : 1900-01-01 DOI: 10.3923/TB.2015.26.36
M. J. Firdhouse, P. Lalitha
{"title":"Maestro 9.4 as a Tool in the Structure Based Screening of Glycoalkaloids and Related Compounds, Targeting Aldose Reductase","authors":"M. J. Firdhouse, P. Lalitha","doi":"10.3923/TB.2015.26.36","DOIUrl":"https://doi.org/10.3923/TB.2015.26.36","url":null,"abstract":"Diabetes mellitus is one of the alarming common diseases of this century. In India, according to the statistics of the International Diabetes Federation, 87 million of people are affected by Diabetes mellitus and this number is expected to cross 100 million by 2030. This has created a thrust for the development of new medicines. Recently, ban of pioglitazone, an oral anti-diabetic drug by Drugs Technical Advisory Board (DTAB) on account of its side effects, portrays the need for developing new drugs with less or no side effects. Cheminformatics tools assist in screening several millions of compounds and providing lead compounds in drug designing. This paper focuses on screening of lead compounds in arriving at newer drugs for Diabetes mellitus. Aldose reductase a cytosolic enzyme is the receptor to which selected lead compounds are docked. Glycoalkaloids (present in bitter melon) and related compounds were docked onto aldose reductase and based on the GLIDE score, structural modifications were carried out to arrive at the highest GLIDE score. A commercially available molecule recommended for Type 2 Diabetes mellitus was also taken for reference. Glycoalkaloids were found to possess high GLIDE score compared to standard. In order to analyze the competence of the Schrodinger software a comparison was made with an internet freeware Hex 6.3 version. The flexible receptor docking of Schrodinger was found to be more advantageous than the Hex 6.3.","PeriodicalId":164864,"journal":{"name":"Trends in Bioinformatics","volume":"60 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126457752","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: 3
The Phylogenetic Analysis of Animal and Plant D-Type Cyclins 动物和植物d型细胞周期蛋白的系统发育分析
Trends in Bioinformatics Pub Date : 1900-01-01 DOI: 10.3923/TB.2008.25.32
D. Suneetha, P. Babu, P. Joshua
{"title":"The Phylogenetic Analysis of Animal and Plant D-Type Cyclins","authors":"D. Suneetha, P. Babu, P. Joshua","doi":"10.3923/TB.2008.25.32","DOIUrl":"https://doi.org/10.3923/TB.2008.25.32","url":null,"abstract":"","PeriodicalId":164864,"journal":{"name":"Trends in Bioinformatics","volume":"64 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123884314","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: 2
Novel Method of Protein Structure Prediction (NPSPM) based on Short Range Interactions between Amino Acids 基于氨基酸间短距离相互作用的蛋白质结构预测新方法
Trends in Bioinformatics Pub Date : 1900-01-01 DOI: 10.3923/TB.2014.1.6
A. Mugilan, S. Jemimah, Preethi Jennifer
{"title":"Novel Method of Protein Structure Prediction (NPSPM) based on Short Range Interactions between Amino Acids","authors":"A. Mugilan, S. Jemimah, Preethi Jennifer","doi":"10.3923/TB.2014.1.6","DOIUrl":"https://doi.org/10.3923/TB.2014.1.6","url":null,"abstract":"","PeriodicalId":164864,"journal":{"name":"Trends in Bioinformatics","volume":"71 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121255386","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
Drug Design for Influenza a Pandemic (H1N1) 2009 Virus Isolates from India 2009年印度H1N1流感大流行病毒分离株的药物设计
Trends in Bioinformatics Pub Date : 1900-01-01 DOI: 10.3923/TB.2012.1.13
Ajay Kumar, A. Mohan, Deepak Sharma, S. Srivastava, R. Srivastava, A. Rawat
{"title":"Drug Design for Influenza a Pandemic (H1N1) 2009 Virus Isolates from India","authors":"Ajay Kumar, A. Mohan, Deepak Sharma, S. Srivastava, R. Srivastava, A. Rawat","doi":"10.3923/TB.2012.1.13","DOIUrl":"https://doi.org/10.3923/TB.2012.1.13","url":null,"abstract":"","PeriodicalId":164864,"journal":{"name":"Trends in Bioinformatics","volume":"18 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114380132","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
In silico and in vitro: Alpha-bulnesene Fraction from Patchouli Oil as Prostaglandin H2 Synthase Inhibitor Selective 硅法和体外实验:广藿香油α -丁烯组分作为前列腺素H2合成酶选择性抑制剂
Trends in Bioinformatics Pub Date : 1900-01-01 DOI: 10.3923/tb.2020.18.26
Sentot Joko Rahar, Takheshi Kikuchi, F. Fatchiyah
{"title":"In silico and in vitro: Alpha-bulnesene Fraction from Patchouli Oil as Prostaglandin H2 Synthase Inhibitor Selective","authors":"Sentot Joko Rahar, Takheshi Kikuchi, F. Fatchiyah","doi":"10.3923/tb.2020.18.26","DOIUrl":"https://doi.org/10.3923/tb.2020.18.26","url":null,"abstract":"","PeriodicalId":164864,"journal":{"name":"Trends in Bioinformatics","volume":"123 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116345032","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
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