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Current Pharmaceutical Design

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https://www.readbyqxmd.com/read/30426891/current-scenario-in-structure-and-ligand-based-drug-design-on-anti-colon-cancer-drugs
#1
Lakshmanan Loganathan, Karthikeyan Muthusamy
Colorectal cancer is the third most commonly detected cancer and the fourth foremost cause of cancer deaths in the world. Recent molecular modeling approaches, driven by rapidly improving computational platforms, have led to many success stories for the use of computer-assisted drug design in the discovery of the structure and ligand-based drugs. This study highlights aspects of the anticancer drug design. The structure and ligand-based drug design are discussed to investigate the molecular and quantum mechanics in anti-cancer drugs...
November 13, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30426890/nanotechnology-as-an-emerging-pathway-for-cancer-therapy-and-diagnosis
#2
Albeena Mahmood, Kavindra Kumar Kesari, Ismat Fatima, Mohd Haris Siddiqui, Qazi Mohammad Sajid Jamal, Salman Akhtar, Mohd Kalim Ahmad Khan, Mohammad Amjad Kamal, Jamal M Arif
Background- The increasing rate of cancer in younger generation is an issue of concern in 21st century. It is highly concerned to know that the available methods of cancer therapy like, radiotherapy and chemotherapy have several side effects causing infertility and neuronal diseases. Radiotherapy is one of the main modalities for the treatment of cancer as we don´t have any other reliable treatment methods till date. Now-a-days, nanotechnology have been introduced for cancer detection and diagnosis. Therefore, cancer nanotechnology is an interdisciplinary area of research in science, engineering, and medicine with broad applications in molecular imaging, molecular diagnosis, and targeted therapy...
November 13, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30421671/simulated-protein-thermal-detection-sptd-for-enzyme-thermostability-study-and-an-application-example-for-pullulanase-from-bacillus-deramificans
#3
Jian-Xiu Li, Shu-Qing Wang, Qi-Shi Du, Hang Wei, Xiao-Ming Li, Jian-Zong Meng, Qing-Yan Wang, Neng-Zhong Xie, Ri-Bo Huang, Kuo-Chen Chou
BACKGROUND: The relationship between protein structure and its bioactivity is one of the fundamental problems for protein engineering and pharmaceutical design. METHOD: A new method, called SPTD (Simulated Protein Thermal Detection), was proposed for studying and improving the thermal stability of enzymes. The method was based on the evidences observed by conducting the MD (Molecular Dynamics) simulation for all the atoms of an enzyme vibrating from the velocity at a room temperature (e...
November 13, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30421670/machine-learning-methods-in-precision-medicine-targeting-epigenetics-diseases
#4
Shijie Fan, Yu Chen, Cheng Luo, Fanwang Meng
BACKGROUND: On a tide of big data machine learning is coming to its day. Referring to huge amounts of epigenetic data coming from biological experiments and clinic, machine learning can help in detecting epigenetic features in genome, finding correlations between phenotypes and modifications in histone or genes, accelerating the screen of lead compounds targeting epigenetics diseases and many other aspects around the study on epigenetics, which consequently realizes the hope of precision medicine...
November 11, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30417782/the-effects-of-coenzyme-q10-supplementation-on-metabolic-profiles-of-patients-with-chronic-kidney-disease-a-systematic-review-and-meta-analysis-of-randomized-controlled-trials
#5
Marzieh Bakhshayeshkaram, Kamran B Lankarani, Naghmeh Mirhosseini, Reza Tabrizi, Maryam Akbari, Mohammad Hossein Dabbaghmanesh, Zatollah Asemi
BACKGROUND: This systematic review and meta-analysis of randomized controlled trials (RCTs) was conducted to determine the effects of coenzyme Q10 (CoQ10) supplementation on metabolic profiles of patients diagnosed with chronic kidney disease (CKD). METHODS: Two independent reviewers systematically searched online databases including PubMed, Cochrane Library, and Web of Science databases, Scopus, EMBASE until July 2018 to identify eligible clinical trials. The heterogeneity across included trials was assessed using Cochran's Q test and I-square (I2) statistic...
November 11, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30417781/small-molecules-as-pd-1-pd-l1-pathway-modulators-for-cancer-immunotherapy
#6
Peifu Jiao, Qiaohong Geng, Peng Jin, Gaoxing Su, Houyun Teng, Jinlong Dong, Bing Yan
Blockade of PD-1/PD-L1 interaction using PD-1/PD-L1 inhibitors have demonstrated unprecedented clinical efficacy in various cancer types. Current PD-1/PD-L1 inhibitors approved by FDA are exclusively dominated by therapeutic antibodies. However, therapeutic antibodies also exhibit several disadvantages such as low tumor tissues penetration, difficult across physiological barriers, lacking oral bioavailability, immunogenicity, long half-life time and strong target occupancy, high manufacturing costs, inaccessible to intracellular targets...
November 11, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30417780/neuroprotection-with-the-endozepine-octadecaneuropeptide-odn
#7
Masmoudi-Kouki Olfa, Hamdi Yosra, Ghouili Ikram, Bahdoudi Seyma, Kaddour Hadhemi, Leprince Jerome, Castel Helene, Vaudry Hubert, Amri Mohamed, Vaudry David, Tonon Marie-Christine
The term endozepines designates a family of astroglia-secreted proteins including the diazepam-binding inhibitor (DBI) and its processing products, which have been originally isolated and characterized as endogenous ligands of benzodiazepine receptors. It is now clearly established that the octadecaneuropeptide ODN (DBI33-50), acting through the central-type benzodiazepine receptor or a metabotropic receptor, exerts important functions such as proconflict behavior, induction of anxiety, inhibition of pentobarbital-provoked sleep, decrease of water consumption and reduction of food intake...
November 11, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30417779/nap-protects-against-tau-hyperphosphorylation-through-gsk3
#8
Yanina Ivashko-Pachima, Illana Gozes
BACKGROUND: The most common form of dementia is Alzheimer's disease (AD), which is characterized, in part, by the accumulation of neurofibrillary tangles (NFT), followed by synaptic and neuronal loss. NFTs are mainly composed of aggregated hyperphosphorylated Tau. It has been demonstrated that pathological concentrations of zinc induce 1] activation of a major Tau kinase - the glycogen synthase kinase-3β (GSK-3β), and 2] promote Tau aggregation and toxicity. Activity-dependent neuroprotective protein (ADNP) and its derived peptide NAP exhibit neuroprotective properties against a variety of toxic insults, including toxic zinc concentrations...
November 11, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30417778/convolutional-neural-networks-for-atc-classification
#9
Alessandra Lumini, Loris Nanni
BACKGROUND: Anatomical Therapeutic Chemical (ATC) classification of unknown compound has raised high significance for both drug development and basic research. The ATC system is a multi-label classification system proposed by the World Health Organization (WHO), which categorizes drugs into classes according to their therapeutic effects and characteristics. This system comprises five levels and includes several classes in each level; the first level includes 14 main overlapping classes...
November 11, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30417777/cancer-biology-aspects-of-computational-methods-applications-in-drug-discovery
#10
Shang-Tao Chien, Ajay Kumar, Shifa Pandey, Chung-Kun Yen, Shao-Yu Wang, Zhi-Hong Wen, Aman Chandra Kaushik, Yow-Ling Shiue, Cheng-Tang Pan
BACKGROUND: Cancer is one of the most debilitating diseases in the world. Even though advances in molecular and cellular biology have contributed to the decline of mortality associated with cancer, the procedure of drug discovery and development of cancer is time-consuming and expensive. However, with computer-aided drug discovery (CADD) techniques, pharmaceutical firms can save production costs and reduce the time of introducing effective anticancer drugs to the market. CADD strategies like structure-based, ligand-based, and combined structure-based and ligand-based approaches also have the advantage of identifying target sites and discovering active compounds with high affinity for the target sites...
November 11, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30417776/brain-peptides-for-the-treatment-of-neuropsychiatric-disorders
#11
Hulya Karatas, Muge Yemisci, Emine Eren-Kocak, Turgay Dalkara
The realization of the importance of growth factors in adult CNS led to several studies investigating their roles in neuropsychiatric disorders. Based on the observations that chronic stress decreases brain-derived neurotrophic factor (BDNF) and antidepressant treatments reverse BDNF to normal levels, "neurotrophic hypothesis of depression" was proposed. Subsequent studies found that several other growth factors, including fibroblast growth factor (FGF), vascular endothelial growth factor, nerve growth factor were also decreased by chronic stress...
November 11, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30417775/alternative-routes-of-administration-of-the-neuroprotective-pituitary-adenylate-cyclase-activating-polypeptide
#12
Dora Reglodi, Tamas Atlasz, Adel Jungling, Edina Szabo, Petra Kovari, Sridharan Manavalan, Andrea Tamas
Pituitary adenylate cyclase activating polypeptide (PACAP) is a neuropeptide with diverse actions, including strong neurotrophic and neuroprotective effects. The aim of our present review is to provide a summary of the different approaches how in vivo neuroprotective effects can be achieved, emphasizing the potential translational values for future therapeutic applications. In the central nervous system, PACAP has been shown to have in vivo protective effects in models of cerebral ischemia, Parkinson's and Alzheimer's disease, Huntington chorea, traumatic brain and spinal cord injury and different retinal pathologies...
November 11, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30417774/advances-in-antidiabetic-drugs-targeting-insulin-secretion
#13
Yanting Ding, Yilian Li, Qin Chen, Bing Niu
BACKGROUND: Diabetes mellitus (DM) is a disease of systemic metabolic disorders caused by the decrease of secretion or sensitivity of insulin. In recent years, the study of insulin-related drug targets and the development of new drugs have become the popular topic of current medical research, and studies have shown that multiple signaling pathways are associated with diabetes treatment. At present, some new drugs based on the new target design have been listed on the market and have achieved good hypoglycemic effect...
November 11, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30417773/analytical-comparison-of-the-originator-granulocyte-colony-stimulating-factor-filgrastim-and-its-biosimilars
#14
Grzegorz Orlik, Mujtaba Ali Khan, Paweł Grieb
BACKGROUND: Filgrastim, a recombinant human granulocyte colony-stimulating factor (rhG-CSF) produced in Escherichia coli, is indicated for treatment of neutropenia-related conditions in cancer patients. It has been marketed as Neupogen since 1991. In 2006, biosimilar rhG-CSF products have been approved in the European Union (EU). OBJECTIVE: The aim of this study was to compare quality attributes of the originator filgrastim with its three biosimilars which came from the EU market in 2014 to verify whether their similarity is maintained since their market approval...
November 9, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30411677/emerging-trends-in-advanced-nanomaterials-based-electrochemical-genosensors
#15
Mahima Kaushik, Sonia Khurana, Komal Mehra, Neelam Yadav, Sujeet Mishra, Shrikant Kukreti
Advanced nanomaterials indubitably represent one of the most propitious classes of new materials due to their intriguing optical, electronic and redox properties. The incredible progress achieved in this research area has been propelled by the development of novel synthetic procedures owing to the emergence of nanotechnology and by the wide range of applications. These nanostructured materials possess high surface area, biocompatibility, nontoxicity and charge-sensitive conductance which have led to the development of simple, rapid, highly sensitive, inexpensive and portable electrochemical genosensors...
November 9, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30398112/regulation-of-feeding-behavior-and-energy-metabolism-by-galanin-like-peptide-galp-a-novel-strategy-to-conquer-fight-against-obesity
#16
Fumiko Takenoya, Satoshi Hirako, Nobuhiro Wada, Naoko Nonaka, Takahiro Hirabayashi, Haruaki Kageyama, Seiji Shioda
Galanin-like peptide (GALP) is composed of 60 amino acid residues and its sequence is highly homologous across species. GALP is produced in the hypothalamic arcuate nucleus and has diverse physiological effects such as the regulation of feeding, energy metabolism, and reproductive behavior. GALP-containing neurons express leptin receptors and these neurons form networks in the hypothalamus that contain various peptides that regulate feeding behavior. Recent studies have revealed that GALP has a central anti-obesity action in addition to its role in food intake regulation...
November 5, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30398111/prospecting-and-structural-insight-into-the-binding-of-novel-plant-derived-molecules-of-leea-indica-as-inhibitors-of-bace-1
#17
S M Zahid Hosen, Maruf Rubayed, Raju Dash, Md Junaid, Sarmistha Mitra, Muhammad Shaiful Alam, Rupantar Dey
Alzheimer disease (AD) can be considered as the most common age related neurodegenerative disorder, undoubtedly; and also a very important cause of death in elderly patients. A number of studies found the correlation of this disease pathology with BACE1 inhibitor and it is also evident that BACE1 inhibitor can function as a very potent treatment strategy in treating AD. In this present study, we aimed to prospect for novel plant-derived BACE1 inhibitors from Leea indica and to realise structural basis of their interaction mechanism using combined molecular docking and molecular dynamics based approaches...
November 5, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30398110/detecting-personalized-determinates-during-drug-treatment-from-omics-big-data
#18
Lu Wang, Xiangtian Yu, Chengming Zhang, Tao Zeng
BACKGROUNDS: The targeted therapy is the foundation of personalized medicine in cancer, which is often understood as the right patient using the right drug. Thinking from the viewpoint of determinates during personalized drug treatment, the genetics, epigenetics and metagenomics would provide individual-specific biological elements to characterize the personalized responses for therapy. METHODS: Such personalized determinates should be not extremely understood as specificity for only one person, while they should have certain replicate observations in a group of individuals but no all, which actually provide more credible and reproducible personalized biological features...
November 5, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30398109/computational-and-experimental-binding-mechanism-ofdna-drug-interactions
#19
Chandrabose Selvaraj, Sanjeev Kumar Singh
Nucleic acid are the key unit and predominant genetic material for interpreting the fundamental basis of genetic information in an organism and now it's used for the evolution of a novel group of therapeutics. To identify the potential impact in the biological science, it receives high recognition in therapeutic applications.Due to their selective recognition of molecular targets and pathways, DNA significantly imparts tremendous specificity of action. With its high advantages in the assembly of device, interconnects and computational elements DNA has shown great potential fabrication and construction of nanostructures and devices...
November 5, 2018: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/30398108/the-landscape-of-protein-tyrosine-phosphatase-shp2-and-cancer
#20
Ashfaq Ur Rehman, Mueed Ur Rehman, K M Tahir, Shah Saud, Hao Liu, Dong Song, Pinky Sultana, Abdul Wadood, Hai-Feng Chen
Role of Shp2: The dysregulation of cell signaling cascades associated with the cell differentiation and growth, due to the deletion, insertion or point mutation in specific amino acids which alters the intrinsic conformation of the protein, can ultimately lead to a fatal cancer disease. The protein tyrosine phosphatase has been recognized as a key regulator of extracellular stimuli such as cytokine receptor and receptor tyrosine kinase signaling. In the last era, the PTPN11 gene (encode a Shp2 protein) and its association with acute myeloid, juvenile myelomonocytic, and B-cell acute lymphoblastic leukemia, Noonan syndrome, and myelodysplastic has been recognized, the cause of such deadly disease due to the occurrence of germline mutations in the interface of PTP and SH2 domain...
November 5, 2018: Current Pharmaceutical Design
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