The Infona portal uses cookies, i.e. strings of text saved by a browser on the user's device. The portal can access those files and use them to remember the user's data, such as their chosen settings (screen view, interface language, etc.), or their login data. By using the Infona portal the user accepts automatic saving and using this information for portal operation purposes. More information on the subject can be found in the Privacy Policy and Terms of Service. By closing this window the user confirms that they have read the information on cookie usage, and they accept the privacy policy and the way cookies are used by the portal. You can change the cookie settings in your browser.
Nowadays, scientists make effort to provide security for the communication channels. Several security and privacy threats are introduced via the Internet as the major communication channel. Therefore, information exchanging through the Internet should be protected and secured. Now healthcare systems are getting very common in the world. A health care system should preserve privacy while sending patients’...
3D-QSAR CoMFA and CoMSIA studies were performed on a set of trifluorophenyl derivatives as dipeptidyl peptidase IV inhibitors. Based on the results, predictive QSAR models were established, with cross-validated coefficient values (q2) up to 0.879 for CoMFA. CoMSIA model developed using combination of steric, electrostatic, hydrophobic, hydrogen bond donor and hydrogen bond acceptor features has shown...
Cancer is a serious health concern growing at a rapid speed where normal cells take neoplastic transformation. Different pathway is tightly regulated with each other to maintain the harmony and sudden changes in single protein leads to aberrant changes in the whole system. Development of drugs to target these proteins aimed to block the signaling route that leads to cell death. Here, in this study,...
Mitogen-activated protein kinase (MAPK) pathways extensively studied in cancer and governing intertwined biological process challenges to identify the efficient drug target strategy. Cross-talks among ERK1/2, ERK5, JNK, and p38 amplify signaling flow and lead to the construction of the network of MAPK pathways. A topological analysis reveals that the network exponentially fits the degree distributions...
The inhibitor of kappaB kinase beta (IKK-β) is an important target for the therapeutic treatment of cancer and inflammatory diseases. On the other hand, zerumbone an isolate from Zingiber zerumbet has become an important molecule for targeting various cancer drug targets and enzyme. Although zerumbone is also a good inhibitor of IKK-β, its usage is limited because of its bioavailability problem. Hence,...
The most common pharmacologic approaches to inhibiting EGFR have been to develop small-molecule inhibitors which exert their effects at the intracellular portion of the receptor to prevent tyrosine kinase phosphorylation and subsequent activation of signal transduction pathways. A non-covalent molecular docking study was carried-out between 119 NCI anticancer compounds with receptor tyrosine kinase...
G-protein coupled receptor (GPR120) is an omega-3 fatty acid receptor that inhibits macrophage-induced tissue inflammation. Recent studies revealed GPR120 promotes colorectal carcinoma through modulation of VEGF, IL-8, PGE2, and NF-kB expression. However, three-dimensional structure of GPR120 is not yet available in Protein Data Bank (PDB). In the present study, we focused on a 3-D structural model...
Systems biology helps to understand the intricate biological processes through the regulatory and metabolic mechanism. Modeling and simulation are the computational approaches to encounter the physiological and disease processes by means of an artificial environment that precisely mimics the conditions inside the cell. A large proportion of colorectal cancers (CRC) display mutational inactivation...
Curcumin, a golden yellow pigment present in the spice turmeric, has pleiotropic chemopreventive and therapeutic active compound against many diseases including cancer. It has been reported that curcumin acts as a topoisomerase II inhibitor and it was found that even concentration of 50 µM of curcumin in vitro is active in a similar fashion as etoposide (antineoplastic agent). Topoisomerases (type...
The present study was conducted with the aim to predict the possible associations of Apo E gene SNPs with a deleterious effect on the structural and functional properties of Apo E using different databases such as nucleotide polymorphism database (dbSNP), SIFT, PolyPhen-2 and F-SNP database. The study was performed during 2017–18 using in vitro bioinformatics tools. Bioinformatics tools such as SIFT,...
Understanding how relationships are structured in physician networks provides insights into how these networks influence physicians’ beliefs and behaviors. This understanding would help improve strategies for disseminating medical information and guidelines. But most physician social networks mainly focus on a binary relationship where either one physician is connected or not connected to another...
Recent great advances in the field of high-performance computing offer new opportunities in bioinformatics, computational chemistry, and computational biology. In this paper, we use the computational methods, for instance, the support vector machines (SVM) to optimize the prediction of solubility of compounds. SVMs are trained with known data of soluble and insoluble compounds of a database, and such...
Ovarian cancer (OC), one of the most frequent forms of cancer among women all over the world, inflicts a substantial danger to the health of human beings. An in-depth comprehension of its latent processes at the molecular level is the answer to evolving successful earmarked therapies. For an effective genomic assay, deep transcriptional sequencing has been used via Next-generation sequencing tools...
The present study describes the development of 3D-QSAR studies on angiotensin II receptor based on the selected pharmacophore model. A four-point pharmacophore with one hydrogen bond acceptor (A), one hydrophobic (H), and two aromatic ring features (R) as pharmacophore features was developed by PHASE module. The pharmacophore hypothesis yielded a statistically significant model with good partial least-squares...
The pGI50 cytotoxicity values of 112 compounds on K-562 cancer cell line were modeled to illustrate the quantitative structure–activity relationship (QSAR) of the compounds. The dataset were divided into training and test set through Kennard-stone algorithm, while the pool of molecular descriptors calculated with paDEL descriptor metric program was subjected to the genetic functional algorithm (GFA)...
The increase in digital/data resources available in the healthcare sector has heightened the emphasis of applying analytics to extract information to provide solutions to problems. However, the process of providing analytic-based healthcare solutions may introduce factors that require multiple analytic techniques or a hybrid approach. Data resources can involve complexities including formatting and...
Oocyte and egg provide an excellent model system for studying calcium patterns. Calcium signal is a transient increase of intracellular calcium concentration which influences different cellular processes among a variety of different cells. The change in calcium concentration transmits information through an organized set of spatio-temporal changes, localized transients or puffs, calcium wave propagation,...
Set the date range to filter the displayed results. You can set a starting date, ending date or both. You can enter the dates manually or choose them from the calendar.