Evaluation of Rapanone and Nectandrin B as novel inhibitors for targeting the metastatic regulator protein BACH1 using breast cancer cell line Mcf-7

Cancer formation is defined as the unrestrained proliferation of cells due to various factors acting as a causing agent. A limited number of over-expressed transcription factors are contributed to the development of numerous types of cancer. The metastatic regulator protein BTB And CNC Homology 1 (BACH1) is Cap ‘N’ Collar (CNC) and it belongs to a basic region leucine zipper (bZIP) family. The presence of the least level concentration of intracellular heme BACH1 forms heterodimers with musculo aponeurotic fibrosarcoma (sMAF) proteins and inhibits or induces the target gene expression. Based on the previous studies, BACH1 plays a critical player in the conditions of senescence and oxidative stress, cycling of cell life, heme degradation pathway and cancer, especially in metastasis. Discovering new anti-cancer drugs (identification of bioactive compounds) stages finally needs to inhibit the target protein. This present study is aimed to screen and identify stability, binding affinity and analysis of pharmacokinetics of selected compounds through structural screening, ADMET, DFT and MESP. From this study, it is revealed that Rapanone and Nectandrin B have the potential to alter the degree of gene expression via binding with the BACH1 allosteric region which will further change the degree of expression of BACH1 downstream target genes involved in the regulation of cancer progression particularly in metastasis. The two plant origin compounds Rapanone and Nectandrin B might be novel candidates for developing anti-cancer drugs. The predicted compounds were further validated through in-vitro experimental approaches. Communicated by Ramaswamy H. Sarma.</p

Cyanobacterial KnowledgeBase (CKB), a Compendium of Cyanobacterial Genomes and Proteomes

<div><p>Cyanobacterial KnowledgeBase (CKB) is a free access database that contains the genomic and proteomic information of 74 fully sequenced cyanobacterial genomes belonging to seven orders. The database also contains tools for sequence analysis. The Species report and the gene report provide details about each species and gene (including sequence features and gene ontology annotations) respectively. The database also includes cyanoBLAST, an advanced tool that facilitates comparative analysis, among cyanobacterial genomes and genomes of <i>E</i>. <i>coli</i> (prokaryote) and <i>Arabidopsis</i> (eukaryote). The database is developed and maintained by the Sub-Distributed Informatics Centre (<i>sponsored by</i> the Department of Biotechnology, <i>Govt</i>. <i>of India</i>) of the National Facility for Marine Cyanobacteria, a facility dedicated to marine cyanobacterial research. CKB is freely available at <a href="http://nfmc.res.in/ckb/index.html" target="_blank">http://nfmc.res.in/ckb/index.html</a>.</p></div

CKB web interface.

<p>CKB web interface.</p

Sequence features.

<p>Graphical and tabular display of sequence features.</p

Gene report-About section.

<p>About section of the gene provides brief information about the gene of interest and genes located either side of the gene.</p

Search and browse tool.

<p>The CKB search tools allow to search by keywords or accession and browse tool, through which users can peruse to individual organism.</p

CKB BLAST tool.

<p>The BLAST analysis tool compares sequence within cyanobacterial species and with <i>E</i>. <i>coli</i> and <i>Arabidopsis</i>. It consists of A, B, C, D and E divisions where A: denotes different programs of BLAST tool, B: the sequence input page, C: option to select the individual or an order wise cyanobacterial dataset, D: choice to choose genomes of 74 cyanobacterial genomes fully or only chromosomes or only plasmids for analysis and E: option to choose <i>E</i>. <i>coli</i> and /or <i>Arabidopsis</i>.</p

List of other databases or web-resources available as at May-2015.

<p>List of other databases or web-resources available as at May-2015.</p

Search results.

<p>Results for keyword "Chaperone" showing 907 entries.</p