2018 International Conference on Bioinformatics and Systems Biology (BSB)
Development of multidrug resistance in pathogenic bacterial species is one of the most catastroph... more Development of multidrug resistance in pathogenic bacterial species is one of the most catastrophic problems faced by mankind these days. Acinetobactor baumannii belongs to the group of ‘ESKAPE’ pathogens which includes the bacterial species that have developed the resistance to first-line antibiotics. It is responsible for causing community acquired diseases. Therefore, identification of new drug targets holds considerable importance in order to combat the drug resistance in this pathogen. In this context, 30s ribosomal subunit S2 (rpsI) and 30s ribosomal subunit S9 (rpsB) appears to be a promising choice as they are found in most of the pathogenic strains and is crucial for protein synthesis in this bacteria.
2017 7th International Conference on Cloud Computing, Data Science & Engineering - Confluence, 2017
Zika virus (ZIKV) has recently infected around 2 million people around the world and presently th... more Zika virus (ZIKV) has recently infected around 2 million people around the world and presently there is no USFDA approved drug in the market. In the present study, molecular docking analysis of two essential non-structural proteins NS2B/NS3 protease and NS3 helicase, which are involved in viral replication, has been reported. Identification of potential inhibitors could be considered as a strategy for treatment of the ZIKV infection. Using structure based drug design, docking of 1, 15,203 compounds were performed for both the proteins and 10 ligands were identified for each protein, which may serve as potential inhibitors. These molecules can further be validated in experimental studies.
Indian Journal of Genetics and Plant Breeding (The), 2019
Chloroplast genome is important because of its maternally inherited, conserved within species and... more Chloroplast genome is important because of its maternally inherited, conserved within species and stable in structure. This allows elucidation of inter-specific comparison, identification and establishment of evolutionary relationship among different species. Different classes of DNA elements were present in chloroplast genome of Oryza species, among them chloroplast microsatellites were supposed to be highly variable. In this study, a total of 102 sequences of chloroplast genome of 23 species of Oryza genus belonging to ten different genome types were downloaded from NCBI nucleotide database. The chloroplast DNA length varied from 134,401bp to 136,133bp. Microsatellite analysis revealed that total SSR number varied from 268 in O. coarctata to 281 in O. granulata. Comparative analysis of repeat type revealed that mononucleotide and trinucleotide were least present, while penta and hexa nucleotide motif were the most common type among all the Oryza species. Frequency analysis of the ...
Omics Approaches, Technologies And Applications, 2018
Omics technologies also referred as high-dimensional biology encompasses the cells, tissues, and ... more Omics technologies also referred as high-dimensional biology encompasses the cells, tissues, and organisms in a manner that integrates the data from various platforms and helps in its interpretation. It primarily detects the genes (genomics), mRNAs (transcriptomics), proteins (proteomics), and metabolites (metabolomics) in a nontargeted and non-biased manner. The integration and interrelationships between networks of biological processes is termed as systems biology. The approach provides hope for unravelling the intricate details in various aspects of biology and accelerates innovation in healthcare. Understanding the various dimensions encompassing not only the three levels constituting the central dogma of life but also the intermediate metabolites is significant for the scientists to cover new horizons in drug discovery and disease regulation. This chapter outlines the scope of omics, experimental design in omics research, and its applications. It will also provide an overview to the usage of languages like R for analyzing high-throughput data from all branches of “omics” technologies.
At the late 1940s, 17β-HSD1 was discovered as the first member of the 17β-HSD family with its gen... more At the late 1940s, 17β-HSD1 was discovered as the first member of the 17β-HSD family with its gene cloned. The three-dimensional structure of human 17β-HSD1 is the first example of any human steroid converting enzyme. The human enzyme's structure and biological function have thus been studied extensively in the last two decades. In humans, the enzyme is expressed in placenta, ovary, endometrium and breast. The high activity of estrogen activation provides the basis of 17β-HSD1's implication in estrogen-dependent diseases, such as breast cancer, endometriosis and non-small cell lung carcinomas. Its dual function in estrogen activation and androgen inactivation has been revealed in molecular and breast cancer cell levels, significantly stimulating the proliferation of such cells. The enzyme's overexpression in breast cancer was demonstrated by clinical samples. Inhibition of human 17β-HSD1 led to xenograft tumor shrinkage. Unfortunately, through decades of studies, there i...
Microtubule-associated serine/threonine kinase-like (MASTL) regulates mitotic progression and is ... more Microtubule-associated serine/threonine kinase-like (MASTL) regulates mitotic progression and is an attractive target for the development of new anticancer drugs. In this study, novel inhibitory molecules were screened against MASTL kinase, a protein involved in cell proliferation in breast cancer. Natural source-derived drugs Enzastaurin and Palbociclib were selected to identify their role as MASTL kinase inhibitors. Cytotoxic activity, kinase activity and other cell-based assays of Enzastaurin and Palbociclib were evaluated on human breast cancer (MCF-7) cells. The potential natural compounds caused cytotoxicity in MCF-7 cells in a dose and time-dependent manner. Further analysis by Annexin V and PI staining indicated that both drugs are potent inducers of apoptosis. Enzastaurin induced G2/M phase arrest while, Palbociclib caused G1 arrest. MASTL kinase activity was significantly abrogated with both the compounds showing EC50 values of 17.13µM and 10.51µM respectively. Taken toget...
2018 International Conference on Bioinformatics and Systems Biology (BSB)
Development of multidrug resistance in pathogenic bacterial species is one of the most catastroph... more Development of multidrug resistance in pathogenic bacterial species is one of the most catastrophic problems faced by mankind these days. Acinetobactor baumannii belongs to the group of ‘ESKAPE’ pathogens which includes the bacterial species that have developed the resistance to first-line antibiotics. It is responsible for causing community acquired diseases. Therefore, identification of new drug targets holds considerable importance in order to combat the drug resistance in this pathogen. In this context, 30s ribosomal subunit S2 (rpsI) and 30s ribosomal subunit S9 (rpsB) appears to be a promising choice as they are found in most of the pathogenic strains and is crucial for protein synthesis in this bacteria.
2017 7th International Conference on Cloud Computing, Data Science & Engineering - Confluence, 2017
Zika virus (ZIKV) has recently infected around 2 million people around the world and presently th... more Zika virus (ZIKV) has recently infected around 2 million people around the world and presently there is no USFDA approved drug in the market. In the present study, molecular docking analysis of two essential non-structural proteins NS2B/NS3 protease and NS3 helicase, which are involved in viral replication, has been reported. Identification of potential inhibitors could be considered as a strategy for treatment of the ZIKV infection. Using structure based drug design, docking of 1, 15,203 compounds were performed for both the proteins and 10 ligands were identified for each protein, which may serve as potential inhibitors. These molecules can further be validated in experimental studies.
Indian Journal of Genetics and Plant Breeding (The), 2019
Chloroplast genome is important because of its maternally inherited, conserved within species and... more Chloroplast genome is important because of its maternally inherited, conserved within species and stable in structure. This allows elucidation of inter-specific comparison, identification and establishment of evolutionary relationship among different species. Different classes of DNA elements were present in chloroplast genome of Oryza species, among them chloroplast microsatellites were supposed to be highly variable. In this study, a total of 102 sequences of chloroplast genome of 23 species of Oryza genus belonging to ten different genome types were downloaded from NCBI nucleotide database. The chloroplast DNA length varied from 134,401bp to 136,133bp. Microsatellite analysis revealed that total SSR number varied from 268 in O. coarctata to 281 in O. granulata. Comparative analysis of repeat type revealed that mononucleotide and trinucleotide were least present, while penta and hexa nucleotide motif were the most common type among all the Oryza species. Frequency analysis of the ...
Omics Approaches, Technologies And Applications, 2018
Omics technologies also referred as high-dimensional biology encompasses the cells, tissues, and ... more Omics technologies also referred as high-dimensional biology encompasses the cells, tissues, and organisms in a manner that integrates the data from various platforms and helps in its interpretation. It primarily detects the genes (genomics), mRNAs (transcriptomics), proteins (proteomics), and metabolites (metabolomics) in a nontargeted and non-biased manner. The integration and interrelationships between networks of biological processes is termed as systems biology. The approach provides hope for unravelling the intricate details in various aspects of biology and accelerates innovation in healthcare. Understanding the various dimensions encompassing not only the three levels constituting the central dogma of life but also the intermediate metabolites is significant for the scientists to cover new horizons in drug discovery and disease regulation. This chapter outlines the scope of omics, experimental design in omics research, and its applications. It will also provide an overview to the usage of languages like R for analyzing high-throughput data from all branches of “omics” technologies.
At the late 1940s, 17β-HSD1 was discovered as the first member of the 17β-HSD family with its gen... more At the late 1940s, 17β-HSD1 was discovered as the first member of the 17β-HSD family with its gene cloned. The three-dimensional structure of human 17β-HSD1 is the first example of any human steroid converting enzyme. The human enzyme's structure and biological function have thus been studied extensively in the last two decades. In humans, the enzyme is expressed in placenta, ovary, endometrium and breast. The high activity of estrogen activation provides the basis of 17β-HSD1's implication in estrogen-dependent diseases, such as breast cancer, endometriosis and non-small cell lung carcinomas. Its dual function in estrogen activation and androgen inactivation has been revealed in molecular and breast cancer cell levels, significantly stimulating the proliferation of such cells. The enzyme's overexpression in breast cancer was demonstrated by clinical samples. Inhibition of human 17β-HSD1 led to xenograft tumor shrinkage. Unfortunately, through decades of studies, there i...
Microtubule-associated serine/threonine kinase-like (MASTL) regulates mitotic progression and is ... more Microtubule-associated serine/threonine kinase-like (MASTL) regulates mitotic progression and is an attractive target for the development of new anticancer drugs. In this study, novel inhibitory molecules were screened against MASTL kinase, a protein involved in cell proliferation in breast cancer. Natural source-derived drugs Enzastaurin and Palbociclib were selected to identify their role as MASTL kinase inhibitors. Cytotoxic activity, kinase activity and other cell-based assays of Enzastaurin and Palbociclib were evaluated on human breast cancer (MCF-7) cells. The potential natural compounds caused cytotoxicity in MCF-7 cells in a dose and time-dependent manner. Further analysis by Annexin V and PI staining indicated that both drugs are potent inducers of apoptosis. Enzastaurin induced G2/M phase arrest while, Palbociclib caused G1 arrest. MASTL kinase activity was significantly abrogated with both the compounds showing EC50 values of 17.13µM and 10.51µM respectively. Taken toget...
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