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Combinatorial Chemistry & High Throughput Screening

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https://www.readbyqxmd.com/read/28155598/development-of-in-vitro-co-culture-model-in-anti-cancer-drug-development-cascade
#1
Ruiling Xu
Tumour microenvironment is recognized as a major determinant of intrinsic resistance to anticancer therapies. In solid tumour types, such as breast cancer, lung cancer and pancreatic cancer, stromal components provide a fibrotic niche, which promotes stemness, EMT, chemo- and radio-resistance of tumour. However, this microenvironment is not recapitulated in the conventional cell monoculture or xenografts, hence these in vitro and in vivo preclinical models are unlikely to be predictive of clinical response; which might attribute to the poor predictivity of these preclinical drug-screening models...
February 1, 2017: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28137222/machine-learning-and-molecular-dynamics-based-insights-into-mode-of-actions-of-insulin-degrading-enzyme-modulators
#2
Salma Jamal, Sukriti Goyal, Asheesh Shanker, Abhinav Grover
BACKGROUND: Alzheimer's disease (AD) is one of the most common lethal neurodegenerative disorders having impact on the lives of millions of people worldwide. The disease lacks effective treatment options and the unavailability of the drugs to cure the disease necessitates the development of effectual anti-Alzheimer drugs. Several mechanisms have been reported underlying the association of the two disorders, diabetes and dementia, one among which is the insulin-degrading enzyme (IDE) which is known to degrade insulin as well beta-amyloid peptides...
January 30, 2017: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28137214/phytochemical-constituents-ches-and-urease-inhibition-antiproliferative-and-antioxidant-properties-of-elaeagnus-umbellata-thunb
#3
Tevfik Ozen, Semiha Yenigun, Muhammed Altun, Ibrahim Demirtas
Due to the common ethnopharmacological used or scientifically examined biochemical properties, Elaeagnaceae family, Elaeagnus umbellata Thunb. (autumn olive) was worth investigated. In this investigation, we revealed antioxidant, antiproliferative and enzyme inhibition activities of the water, methanol, ethanol, acetone, ethyl acetate and hexane extracts of E. umbellata as well as contents of their phenolic, flavonoid, anthocyanin, ascorbic acid, lycopene and b-carotene. The antioxidant activity was screened by phosphomolybdenum assay...
January 27, 2017: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28128052/a-novel-gene-selection-method-based-on-sparse-representation-and-max-relevance-and-min-redundancy
#4
Min Chen, Xiaoming He, Shao Bin Duan, Ying Wei Deng
Gene selection method as an important data preprocessing work has been followed. In the current Maximum relevance and minimum redundancy(MRMR) gene selection algorithm, Gene correlation evaluation is commonly used, which has an advantage in effectively evaluating the correlation between two genes, but is deficient in viewing genes in isolation, without considering the influence of other genes. This article proposes a new method based on sparse representation and MRMR algorithm(SRCMRMR), using the sparse representation coefficient to represent the relevance of genes and correlation between genes and categories...
January 26, 2017: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28116998/exploration-of-new-and-potent-lead-molecules-against-caax-prenyl-protease-i-of-leishmania-donovani-through-pharmacophore-based-virtual-screening-approach
#5
Sitrarasu Vijaya Prabhu, Kartikeya Tiwari, Venkatesan Suryanarayanan, Vikash Kumar Dubey, Sanjeev Kumar Singh
AIM AND OBJECTIVE: Visceral leishmaniasis is a deadly disease left untreated in over 95% of cases. It is characterized by irregular bouts of fever, weight loss, enlargement of the spleen and liver, and anemia. It is highly endemic in the Indian subcontinent. CAAX prenyl proteaseI of Leishmania donovani is one of the important targets regulating the post translational modification process. Hence identifying potent drug candidate against the target is essential. This study mainly focuses on developing new and potent inhibitors against CAXX prenyl protease I of Leishmania donovani...
January 20, 2017: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28124599/folate-deficiency-increased-the-risk-of-schizophrenia%C3%AF-a-meta-analysis
#6
Yujie Ding, Mingliang Ju, Wenzhong Chen, Lin He
The aim of this meta-analysis was to estimate the association between folate level and the risk of schizophrenia in order to provide the evidence for the treatment of schizophrenia. Data was extracted from all the studies met our inclusion and exclusion criteria. The association between the folate and schizophrenia was evaluated by the standardized mean difference (SMD) and 95% confidence interval (CI). The 20 published articles of our meta-analysis included 1463 (53.4%) cases and 1276 (46.6%) controls. The folate level of schizophrenia patients was lower than healthy controls with statistically significant differences (SMD=-0...
January 17, 2017: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28124598/integrated-differential-regulatory-analysis-reveals-a-novel-prognostic-36-gene-signature-for-gastric-cancer-in-asian-population
#7
Junyi Li, Sujuan Wu, Liguang Yang, Yi-Xue Li, Bing-Ya Liu, Yuan-Yuan Li
Gastric cancer (GC) is one of the most common cancers and has very high incidence and mortality rate in Asian population. To tackle the problems of infiltration and heterogeneity, more accurate biomarkers for diagnosis and prognosis as well as effective targets for treatment are needed to achieve better outcomes of GC patients. Recently, methods and algorithms for analyzing high-throughput sequencing data have greatly facilitated the molecular profiling of gastric cancer. Nevertheless, prognostic biomarkers for GC that can be potentially applied in clinic are still lacking...
January 17, 2017: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28093975/molecular-modeling-and-dynamics-simulation-analysis-of-katnal1-for-identification-of-novel-inhibitor-of-sperm-maturation
#8
Kishore Sarma, Shubhadeep Roychoudhury, Sudipta Sankar Bora, Budheswar Dehury, Pratap Parida, Saurav Das, Robin Das, Chandrajit Dohutia, Sangeeta Nath, Bibhas Deb, Mahendra K Modi
Rapid growth of world population is one of the biggest challenges faced by the human race. Hormone based birth control often causes various side effects, as such development of non-hormonal based contraceptives is the need of the hour. A recent study revealed that temporary infertility without changing hormone levels can be attained by inhibiting Katanin p60 ATPase-containing subunit A-like 1 protein (KATNAL1) which is critical in sperm maturation in the testes. This study revealed that, KATNAL1 is a soluble protein retained in the cytoplasm having molecular weight of 55,392 Dalton...
January 16, 2017: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28093974/anticancer-properties-of-traditional-chinese-medicine
#9
Zhaokun Yan, Zijun Lai, Jiumao Lin
Cancer is a systemic disease. Cancer occurrence is associated with several factors, including cell proliferation, apoptosis, metastasis, tumor microenvironment and immune system. Traditional Chinese medicine (TCM) has been widely used for thousands of years in China for its anti-cancer therapeutic effect. The advantage of using TCM is related to its action on multiple signaling pathways and molecular targets related to cancer, whilst causing few adverse effects. TCM exerts its anticancer effects through multiple mechanisms, including apoptosis induction, proliferation inhibition, metastasis suppression, multidrug resistance reversal and immune function regulation...
January 16, 2017: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28088891/recent-advances-in-developing-photosensitizers-for-photodynamic-cancer-therapy
#10
Cong Chen, Jianmin Wang, Xiaoyan Li, Xiaolong Liu, Xiao Han
Photosensitizers are key molecules used in photodynamic cancer therapy (PDT), which is an effective therapeutic modality option for several diseases and non-oncological disorders. Due to its lower systemic toxicity and its ability to destroy tumors selectively, PDT has been considered clinical avenue for the treatment of several cancers. Three essential elements are involved in a PDT procedure: a photosensitizer, light of a specific wavelength, and singlet oxygen. However, the properties of conventional photosensitizers exhibit some drawbacks that may limit their use...
January 13, 2017: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28078982/phytochemicals-a-novel-and-prominent-source-of-anti-cancer-drugs-against-colorectal-cancer
#11
Ravikiran Mahadevappa, Hang Fai Kwok
Colorectal cancer (CRC) is a malignant disease whose incidence and mortality rates are greatly influenced by environmental factors. Under-treatment of CRC such as a poor diagnostic evaluation, less aggressive surgery, less intensive chemotherapy results in metastasizing of the primary tumor cells and recurrence of cancer. Prolonged chemotherapy treatment against cancer is hazardous to the patients, which also limits its use in cancer therapy. Current research in developing a novel anti-cancer agent, direct towards finding a better anti-metastatic and an anti-invasive drug with reduced side effects...
January 12, 2017: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28071587/new-imidazole-based-compounds-active-against-trypanosoma-cruzi
#12
Oluyomi Stephen Adeyemi, Maria Teresa Molina, Abiodun Omokehinde Eseola, Cristina Fonseca-Berzal, Alicia Gomez-Barrio
Current drugs available for the treatment of Chagas disease are fraught with several challenges including severe toxicity and limited efficacy. These factors coupled with the absence of effective drugs for treating the chronic stage of the disease have rendered the development of new drugs against Chagas disease a priority. This study screened several imidazole-based compounds for anti-Trypanosoma potential. Using in vitro experimental infection model, several imidazole-based compounds were screened for anti-proliferative effect on Trypanosoma cruzi epimastigotes...
January 10, 2017: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28049404/cystic-fibrosis-mutation-detection-with-spr-biosensor-in-real-samples-via-multiple-surfaces-binding-method
#13
Yasin Ugur Kayran, Dilsat Ozkan-Ariksoysal, Seda Nur Topkaya, Burcin Tezcanli Kaymaz, Buket Kosova Can
Surface Plasmon Resonance (SPR) based biosensor system was developed for the detection of Delta F508 (DF508del) Cystic Fibrosis (CF) mutation in both synthetic and real samples. In order to provide an effective hybridization between probe and the Polymerase Chain Reaction (PCR) amplicons (target), streptavidin was bound to the surface and biotin-tag probe was sent to the streptavidin-coated surface. For the target preparation, blood samples were collected from the patients who suffer from CF. Following the DNA isolation; samples were amplified with PCR with biotin-tag...
January 3, 2017: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28042773/probing-into-the-molecular-requirements-for-antioxidant-activity-in-plant-phenolic-compounds-utilizing-a-combined-strategy-of-pca-and-ann
#14
Snezana Agatonovic-Kustrin, David William Morton, Petar Ristivojevic
This study investigates molecular structural requirements that are responsible for the antioxidant activity in phenolic compounds. Antioxidant activity was determined with a 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical assay. Principal component analysis (PCA) was used to classify phenolic antioxidants according to the key molecular features that contribute to their antioxidant activity. Artificial neutral networks (ANNs) was used to develop a predictive QSAR model. Both models agreed that structural characteristics of phenolic compounds responsible for the antioxidant activity include: (1) number and position of alcohol groups on the aromatic ring; (2) molecular size; (3) flexibility/bulkiness; and (4) water solubility...
January 2, 2017: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28031013/development-of-a-web-enabled-svr-based-machine-learning-platform-and-its-application-on-modeling-transgene-expression-activity-of-aminoglycoside-derived-polycations
#15
Zhuo Zhen, Thrimoorthy Potta, Nicholas A Lanzillo, Kaushal Rege, Curt M Breneman
Support Vector Regression (SVR) has become increasingly popular in cheminformatics modeling. As a result, SVR-based machine learning algorithms, including Fuzzy-SVR and Least Square-SVR (LS-SVR) have been developed and applied in various research areas. However, at present, few downloadable packages or public-domain software are available for these algorithms. To address this need, we developed the Support vector regression-based Online Learning Equipment (SOLE) web tool (available at http://reccr.chem.rpi...
December 28, 2016: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28031012/synthesis-of-spiro-indole-2-ons-using-three-component-reactions-of-n-alkylisatins-and-triphenylphosphonium-intermediates
#16
Ali Varasteh Moradi
A simple and efficient procedure is achieved for the synthesis of indole-2-on derivatives via three-component reaction of N-alkylisatin, activated acetylenic compounds and alkyl bromide in the presence of triphenylphosphine in water under two conditions of room temperature and microwave irradiation. The yields of reaction in cavity of microwave were good and the reaction time was decreased in contrast to the other method. The method recommends several advantages involving high yields of products and an easy work-up procedure...
December 28, 2016: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28031011/dephossitepred-a-high-accuracy-predictor-for-protein-dephosphorylation-sites
#17
Cangzhi Jia, Wenying He, Quan Zou
Many oncogenes encode proteins with a tyrosine kinase activity that appears to be directly involved in the process of transformation. Because these kinases are themselves activated for transformation by tyrosine phosphorylation, proteins that remove phosphate from tyrosine residues, protein tyrosine phosphatases (PTPs), are intuitive candidate transformation suppressors. In this study, we developed a novel PTP site prediction model, DephosSitePred, based on bi-profile sequence features. Weight parameters in the support vector machine were applied to improve the low sensitivity due to extremelyimbalanced datasets...
December 28, 2016: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28029071/predicting-citrullination-sites-in-protein-sequences-using-mrmr-method-and-random-forest-algorithm
#18
Qing Zhang, Xijun Sun, Kaiyan Feng, ShaoPeng Wang, Yu-Hang Zhang, SiBao Wang, Lin Lu, Yu-Dong Cai
As one of essential post-translational modifications (PTMs), the citrullination or deimination on an arginine residue would change the molecular weight and electrostatic charge of its side-chain. And it has been found that the citrullination in protein sequences was catalyzed by a type of Ca2+-dependent enzyme family called peptidylarginine deiminase (PAD), which include five isotypes: PAD1, 2, 3, 4/5, and 6. Citrullinated proteins participate in many biological processes, e.g. the citrullination of myelin basic protein (MBP) assists the early development of central nervous system...
December 27, 2016: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28025935/developmental-phases-of-anticancer-screening-models
#19
Khaldoon Alsamman, Omar S El-Masry
The development of new screening models for cancer therapy is indispensable for the improvement of cancer treatment, and for the creation of alternative possibilities in the field of chemotherapy. Screening models are routinely used to reduce the cost and resources involved in anticancer drug development. The value of any screening model will ultimately be ascertained by its ability to reliably predict the clinical response. Traditional in vivo screening models have been replaced with cell-based screening assays, and these cell-based models are under constant development to better mimic in vivo conditions...
December 26, 2016: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/28025934/drug-repurposing-in-anticancer-reagent-development
#20
Peng-Chen Chen, Xaiolong Liu, Yao Lin
The development process for cancer drugs is risky, lengthy and costly. Exploration of the anticancer potential of listed non-cancer drugs has become a popular research field in the pharmaceutical industry. The efficacy of various drugs are tested in multiple cancer types and the mechanisms underlying their effect were investigated. In this review, we have summarized the drug relocation instances for different cancer types in recent years and discussed the future direction of drug repurposing.
December 26, 2016: Combinatorial Chemistry & High Throughput Screening
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