In silico Analysis of 2, 4-Substituted Heterocycles and Glutamic Acid Containing Antifolates as Inhibitors of Malarial (Plasmodium falciparum) Protein, Dihydrofolate Reductase-Thymidylate Synthase

2014 ◽  
Vol 07 (11) ◽  
Author(s):  
Jawaria Munir Zeeshan Iqbal
Keyword(s):  
Plasmodium Falciparum ◽  
Glutamic Acid ◽  
Dihydrofolate Reductase ◽  
Thymidylate Synthase ◽  
In Silico ◽  
In Silico Analysis ◽  
Silico Analysis ◽  
Falciparum Protein

scholarly journals Rational design of novel, fluorescent, tagged glutamic acid dendrimers with different terminal groups and in silico analysis of their properties

2017 ◽  
Vol Volume 12 ◽  
pp. 7053-7073 ◽  
Author(s):  
Nuno Martinho ◽  
Liana Silva ◽  
Helena Florindo ◽  
Steve Brocchini ◽  
Mire Zloh ◽  
...  
Keyword(s):  
Glutamic Acid ◽  
In Silico ◽  
Rational Design ◽  
In Silico Analysis ◽  
Silico Analysis

In silico analysis and prediction of immunogenic epitopes for pre-erythrocytic proteins of the deadly Plasmodium falciparum

2021 ◽  
pp. 104985
Author(s):  
Ali Asghari ◽  
Hassan Nourmohammadi ◽  
Hamidreza Majidiani ◽  
Ali Shariatzadeh ◽  
Morteza Shams ◽  
...  
Keyword(s):  
Plasmodium Falciparum ◽  
In Silico ◽  
In Silico Analysis ◽  
Silico Analysis

scholarly journals Genome wide in silico analysis of Plasmodium falciparum phosphatome

BMC Genomics ◽  
2014 ◽  
Vol 15 (1) ◽  
pp. 1024 ◽  
Author(s):  
Rajan Pandey ◽  
Asif Mohmmed ◽  
Christine Pierrot ◽  
Jamal Khalife ◽  
Pawan Malhotra ◽  
...  
Keyword(s):  
Plasmodium Falciparum ◽  
In Silico ◽  
In Silico Analysis ◽  
Genome Wide ◽  
Silico Analysis

A systematic review with in silico analysis on transcriptomic profile of gallbladder carcinoma

2020 ◽  
Vol 47 (6) ◽  
pp. 398-408
Author(s):  
Sonam Tulsyan ◽  
Showket Hussain ◽  
Balraj Mittal ◽  
Sundeep Singh Saluja ◽  
Pranay Tanwar ◽  
...  
Keyword(s):  
Systematic Review ◽  
Gallbladder Carcinoma ◽  
In Silico ◽  
In Silico Analysis ◽  
Transcriptomic Profile ◽  
Silico Analysis

Enalos Suite of Tools: Enhancing Cheminformatics and Nanoinfor - matics through KNIME

2020 ◽  
Vol 27 (38) ◽  
pp. 6523-6535 ◽  
Author(s):  
Antreas Afantitis ◽  
Andreas Tsoumanis ◽  
Georgia Melagraki
Keyword(s):  
Data Analysis ◽  
Virtual Screening ◽  
In Silico ◽  
Model Development ◽  
In Silico Analysis ◽  
Material Design ◽  
Efficient Solutions ◽  
Biological Data ◽  
Cost Efficient ◽  
Silico Analysis

Drug discovery as well as (nano)material design projects demand the in silico analysis of large datasets of compounds with their corresponding properties/activities, as well as the retrieval and virtual screening of more structures in an effort to identify new potent hits. This is a demanding procedure for which various tools must be combined with different input and output formats. To automate the data analysis required we have developed the necessary tools to facilitate a variety of important tasks to construct workflows that will simplify the handling, processing and modeling of cheminformatics data and will provide time and cost efficient solutions, reproducible and easier to maintain. We therefore develop and present a toolbox of >25 processing modules, Enalos+ nodes, that provide very useful operations within KNIME platform for users interested in the nanoinformatics and cheminformatics analysis of chemical and biological data. With a user-friendly interface, Enalos+ Nodes provide a broad range of important functionalities including data mining and retrieval from large available databases and tools for robust and predictive model development and validation. Enalos+ Nodes are available through KNIME as add-ins and offer valuable tools for extracting useful information and analyzing experimental and virtual screening results in a chem- or nano- informatics framework. On top of that, in an effort to: (i) allow big data analysis through Enalos+ KNIME nodes, (ii) accelerate time demanding computations performed within Enalos+ KNIME nodes and (iii) propose new time and cost efficient nodes integrated within Enalos+ toolbox we have investigated and verified the advantage of GPU calculations within the Enalos+ nodes. Demonstration data sets, tutorial and educational videos allow the user to easily apprehend the functions of the nodes that can be applied for in silico analysis of data.

In-Silico Analysis of Chromone Containing Sulfonamide Derivatives as Human Carbonic Anhydrase Inhibitors

2013 ◽  
Vol 9 (4) ◽  
pp. 608-616 ◽  
Author(s):  
Zaheer Ul-Haq ◽  
Saman Usmani ◽  
Uzma Mahmood ◽  
Mariya al-Rashida ◽  
Ghulam Abbas
Keyword(s):  
Carbonic Anhydrase ◽  
In Silico ◽  
In Silico Analysis ◽  
Carbonic Anhydrase Inhibitors ◽  
Human Carbonic Anhydrase ◽  
Silico Analysis
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