{"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}
{"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}
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}
{"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}
{"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}
{"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}
{"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}
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}
{"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}