Systems Biology Approaches for the Prediction of Possible Role of <i>Chlamydia pneumoniae</i> Proteins in the Etiology of Lung Cancer

<div><p>Accumulating evidence has recently supported the association of bacterial infection with the growth and development of cancers, particularly in organs that are constantly exposed to bacteria such as the lungs, colon, cervical cancer etc. Our <i>in silico</i> study on the proteome of <i>Chlamydia pneumoniae</i> suggests an unprecedented idea of the etiology of lung cancer and have revealed that the infection of <i>C</i>. <i>pneumoniae</i> is associated with lung cancer development and growth. It is reasonable to assume that <i>C</i>. <i>pneumoniae</i> transports its proteins within host-intracellular organelles during infection, where they may work with host-cell proteome. The current study was performed for the prediction of nuclear targeting protein of <i>C</i>. <i>pneumoniae</i> in the host cell using bioinformatics predictors including ExPASy pI/Mw tool, nuclear localization signal (NLS) mapper, balanced sub cellular localization predictor (BaCeILo), and Hum-mPLoc 2.0. We predicted 47/1112 nuclear-targeting proteins of <i>C</i>. <i>pneumoniae</i> connected with several possible alterations in host replication and transcription during intracellular infection. These nuclear-targeting proteins may direct to competitive interactions of host and <i>C</i>. <i>pneumoniae</i> proteins with the availability of same substrate and may be involved as etiological agents in the growth and development of lung cancer. These novel findings are expected to access in better understanding of lung cancer etiology and identifying molecular targets for therapy.</p></div

Computationally prediction of

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Possible sub-cellular localization prediction of

Possible sub-cellular localization prediction o

Possible sub-cellular localization of

Possible sub-cellular localization o

Computationally prediction of whole proteome of

Computationally prediction of whole proteome o

Evaluation of <i>in vitro</i> cytotoxicity, biocompatibility, and changes in the expression of apoptosis regulatory proteins induced by cerium oxide nanocrystals

<p>Cerium oxide nanocrystals (CeO₂-NCs) exhibit superoxide dismutase and catalase mimetic activities. Based on these catalytic activities, CeO₂-NCs have been suggested to have the potential to treat various diseases. The crystalline size of these materials is an important factor that influences the performance of CeO₂-NCs. Previous reports have shown that several metal-based nanocrystals, including CeO₂-NCs, can induce cytotoxicity in cancer cells. However, the underlying mechanisms have remained unclear. To characterize the anticancer activities of CeO₂-NCs, several assays related to the mechanism of cytotoxicity and induction of apoptosis has been performed. Here, we have carried out a systematic study to characterize CeO₂-NCs phase purity (X-ray diffraction), morphology (electron microscopy), and optical features (optical absorption, Raman scattering, and photoluminescence) to better establish their potential as anticancer drugs. Our study revealed anticancer effects of CeO₂-NCs in HT29 and SW620 colorectal cancer cell lines with half-maximal inhibitory concentration (IC₅₀) values of 2.26 and 121.18 μg ml^–1, respectively. Reductions in cell viability indicated the cytotoxic potential of CeO₂-NCs in HT29 cells based on inverted and florescence microscopy assessments. The mechanism of cytotoxicity confirmed by estimating possible changes in the expression levels of Bcl2, BclxL, Bax, PARP, cytochrome c, and β-actin (control) proteins in HT29 cells. Down-regulation of Bcl2 and BclxL and up-regulation of Bax, PARP, and cytochrome c proteins suggested the significant involvement of CeO₂-NCs exposure in the induction of apoptosis. Furthermore, biocompatibility assay showed minimum effect of CeO₂-NCs on human red blood cells.</p

Table_1_The integrative bioinformatics approaches to predict the xanthohumol as anti-breast cancer molecule: Targeting cancer cells signaling PI3K and AKT kinase pathway.doc

BackgroundBreast cancer is the most common type of cancer in women, and vast research is being conducted throughout the world for the treatment of this malignancy by natural products using various computational approaches. Xanthohumol, a prenylated flavonoid, is known for its anticancer activity; however, the mechanism behind its action is still in the preliminary stage.MethodsThe current study aimed to analyze the efficacy of xanthohumol compared to the currently available anticancer drugs targeting phosphoinositide-3-kinase (PI3K), serine/threonine kinase (AKT) receptors, and human epidermal growth factor receptor 2 (HER2) for breast cancer treatment through in silico analysis.ResultsThe result revealed that the target compound showed significant binding affinity to targets within the PI3K, AKT, and HER2 signaling pathways with a binding energy of −7.5, −7.9, and −7.9 kcal/mol, respectively. Further prediction studies were then made concerning this compound’s absorption, distribution, metabolism, and excretion (ADME) as well as drug-likeness properties, resulting in its oral bioavailability with only a single violation of Lipinski’s rule of five.ConclusionsThe finding revealed the ability of xanthohumol to bind with multiple cancer cell signaling molecules including PI3K, AKT kinase, and HER2. The current novel study opened the door to advancing research into the management and treatment of breast cancer.</p