Trypanosoma brucei brucei (T.b.brucei) is an extra-cellular parasite that causes Animal African Trypanosomiasis (AAT) disease in animals. Till day, this disease is more difficult to treat and control due to lack of efficient vaccines and early diagnosis of the parasite infection. T.b.brucei Excretory/Secretory (ES) proteins were involved in pathogenesis and key for understanding the host-parasite interactions. Functions of T.b.brucei's ES proteins were poorly investigated and experimental identification is expensive and time-consuming. Bioinformatics approaches are cost-effective by facilitating the experimental analysis of potential drug targets for parasitic diseases. Here we applied several bioinformatics tools to predict and functionalize the annotation of 1104 ES proteins and immunoinformatics approaches carried out to predict and evaluate the epitopes in T.b.brucei. Secretory information, functional annotations and potential epitopes of each ES proteins were available at http://tbb.insilico.in. This study provides functional information of T.b.brucei for experimental studies to identify potential targets for diagnosis and therapeutics development.
The aim of this study was to carry out GC-MS analysis of Catharanthus roseus plant leaves extract to inhibit the non-small cell lung cancer. Catharanthus roseus plant leaves were extracted with methanol and five compounds were identified from GC-MS analysis. Epidermal growth factor receptor (EGFR), is a receptor tyrosine kinase (RTK) which is frequently over-expressed and malignant proliferation of non-small cell lung cancer (NSCLC). The 3D crystal structure of the non-small cell lung cancer responsible protein (ID: 2ITO) were retrieved from the protein data bank (PDB). Discovery studio is a well-known suite of software for molecular docking. It is developed and distributed by Accelrys. The protein ligand docking was performed in flexible docking by Discover Studio. From the GC-MS analysis two compounds 4-piperidineacetic,1-acetyl-5-ethyl-2-[3-[2-hydroxyethyl]-1H-indol-2-yl]-a-methyl-methyl ester and 2H-Pyran,tetrahydro-2-[12-penta decynyloxy], exhibited potential effect against human epidermal growth factor receptor (EGFR) responsible for the non-small cell lung cancer.
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