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| Dharmendra K. Yadav; Feroz Khan; Santosh K. Srivastava. |
| Camptothecin (CPT) is a cytotoxic quinoline alkaloid which inhibits the DNA enzyme Topoisomerase-I (Topo-I) and has shown remarkable anticancer activity in preliminary clinical trials. The major limitation is its low solubility and high adverse reaction. In the studied work, we performed molecular docking of CPT derivatives against Topo-I and developed the quantitative structure activity relationship (QSAR) model for anticancer activity screening. For QSAR, we used CPT and other anticancer drugs with its IC50 values. We used a total of forty seven anticancer drugs as training set and eight compounds as test set and thirty derivatives of CPT as query set. Total of fifty two chemical descriptors were used for the quantitative data calculation. Only four... |
| Tipo: Poster |
Palavras-chave: Cancer; Chemistry; Pharmacology; Bioinformatics; Plant Biology. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/5773/version/1 |
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| Suchita Srivastava; Suaib Luqman; Feroz Khan. |
| Terpenes comprise the most diverse collection of natural products. Out of more than 30,000 individual terpenoids identified, at least half are synthesized by plants. A relatively small, but quantitatively significant, number of terpenoids are involved in primary plant metabolism. However, the vast majorities are classified as secondary metabolites; compounds not required for plant growth and development but presumed to have an ecological function in communication or defense and are widely used in industrial applications. Terpene hydrocarbon scaffolds are generated by the action of the mechanistically intriguing family of mono-, sesqui-, and diterpene synthases collectively termed as terpene synthases, that catalyze multistep reactions with diphosphorylated... |
| Tipo: Poster |
Palavras-chave: Biotechnology; Molecular Cell Biology; Bioinformatics; Plant Biology. |
| Ano: 2012 |
URL: http://precedings.nature.com/documents/6909/version/1 |
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| Dharmendra Kumar Yadav; Feroz Khan; Rajender S. Sangwan. |
| Withanolides are a group of pharmacologically active compounds present in most prodigal amounts in roots and leaves of Withania somnifera (Indian ginseng), one of the most important medicinal plants of Indian systems of medicine. Withanolides are basically steroidal lactones (highly oxygenated C-28 phytochemicals) and similar to ginsenosides activity. Some of the withanolides that have been reported possess immunomodulatory, and anticancer activities. In the present investigation, a quantitative structure activity relationship (QSAR) model based on forward stepwise multiple linear regression (MLR) has been developed against the MCF7, MCF7/BUS, and SK-Br-3 human solid tumor breast cancer cell lines. Relationship correlation coefficient (r2) and cross... |
| Tipo: Poster |
Palavras-chave: Cancer; Chemistry; Pharmacology; Bioinformatics. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/6617/version/1 |
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| S.S. Soam; Feroz Khan; Bharat Bhasker; B. N. Mishra. |
| The identification of major histocompatibility complex (MHC) class-II restricted peptides is an important goal in human immunological research leading to peptide based vaccine design. These MHC class–II peptides are predominantly recognized by CD4+ T-helper cells, which when turned on, have profound immune regulatory effects. Thus, prediction of such MHC class-II binding peptides is very helpful towards epitope-based vaccine design. HLA-DR proteins were found to be associated with autoimmune diseases e.g. HLA-DRB1*0401 with rheumatoid arthritis. It is important for the treatment of autoimmune diseases to determine which peptides bind to MHC class II molecules. The experimental methods for identification of these peptides are both time consuming... |
| Tipo: Manuscript |
Palavras-chave: Immunology; Bioinformatics. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/6608/version/1 |
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| Himanshu Tripathi; Abha Meena; Feroz Khan; Suaib Luqman. |
| There are growing examples of drug resistance in the fungal pathogens to evade antifungal drugs by developing mutation in the key targeted enzymes and high expression of drug transporter genes including ABC transporters and MFS transporters. This led to the urgent need to identify novel (unique or essential to fungus) targets that can be used in development of potential antifungal drugs. We have used a comparative genomics approach to find out novel targets in opportunistic fungus, Candida albicans responsible for severe infection in immunocompromised humans. To identify novel targets we have analyzed available total 14,633 protein sequences (proteome) of C. albicans [SC5314] retrieved through RefSeq, an experimentally curated reference sequence database... |
| Tipo: Poster |
Palavras-chave: Bioinformatics. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/6619/version/1 |
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