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https://www.readbyqxmd.com/read/28644732/lipophilicity-and-biomimetic-properties-to-support-drug-discovery
#1
Fotios Tsopelas, Constantinos Giaginis, Anna Tsantili-Kakoulidou
Lipophilicity, expressed as the octanol-water partition coefficient, constitutes the most important property in drug action, influencing both pharmacokinetic and pharmacodynamics processes as well as drug toxicity. On the other hand, biomimetic properties defined as the retention outcome on HPLC columns containing a biological relevant agent, provide a considerable advance for rapid experimental -based estimation of ADME properties in early drug discovery stages. Areas covered: This review highlights the paramount importance of lipophilicity in almost all aspects of drug action and safety...
June 23, 2017: Expert Opinion on Drug Discovery
https://www.readbyqxmd.com/read/28639695/glycogen-synthase-kinase-3%C3%AE-ablation-limits-pancreatitis-induced-acinar-to-ductal-metaplasia
#2
Li Ding, Geou-Yarh Liou, Daniel M Schmitt, Peter Storz, Jin-San Zhang, Daniel D Billadeau
Acinar-to-ductal metaplasia (ADM) is a reversible epithelial trans-differentiation process that occurs in the pancreas in response to acute inflammation. ADM can rapidly progress toward pre-malignant pancreatic intraepithelial neoplasia (PanIN) lesions in the presence of mutant KRas and ultimately pancreatic adenocarcinoma (PDAC). In the present work we elucidate the role and related mechanism of glycogen synthase kinase-3beta (GSK-3β) in ADM development using in vitro 3D cultures and genetically engineered mouse models...
June 22, 2017: Journal of Pathology
https://www.readbyqxmd.com/read/28636542/niaoduqing-granules-relieve-chronic-kidney-disease-symptoms-by-decreasing-renal-fibrosis-and-anemia
#3
Xu Wang, Suyun Yu, Qi Jia, Lichuan Chen, Jinqiu Zhong, Yanhong Pan, Peiliang Shen, Yin Shen, Siliang Wang, Zhonghong Wei, Yuzhu Cao, Yin Lu
NiaoDuQing (NDQ) granules, a traditional Chinese medicine, has been clinically used in China for over fourteen years to treat chronic kidney disease (CKD). To elucidate the mechanisms underlying the therapeutic benefits of NDQ, we designed an approach incorporating chemoinformatics, bioinformatics, network biology methods, and cellular and molecular biology experiments. A total of 182 active compounds were identified in NDQ granules, and 397 putative targets associated with different diseases were derived through ADME modelling and target prediction tools...
June 14, 2017: Oncotarget
https://www.readbyqxmd.com/read/28632415/synthesis-and-biological-evaluation-of-tanshinone-iia-derivatives-as-novel-endothelial-protective-agents
#4
Xiaoling Bi, Kuojun Zhang, Long He, Biao Gao, Qinlan Gu, Xueyan Li, Jun Chen, Jinxin Wang
AIM: Oxidative stress-induced endothelial injury is a main risk factor in the pathogenesis of cardiovascular diseases. Tanshinone IIA (Tan IIA) exerts protective functions on endothelial cells in response to oxidative stress. To exploit new bioactive compounds from this natural product, 12 derivatives were first synthesized and evaluated for endothelial protective activities. MATERIALS & METHODS: Title compounds were prepared according to high-yielded synthetic routes, and their protective effects on human endothelial EA...
June 20, 2017: Future Medicinal Chemistry
https://www.readbyqxmd.com/read/28628860/in-silico-modeling-on-adme-properties-of-natural-products-classification-models-for-blood-brain-barrier-permeability-its-application-to-traditional-chinese-medicine-and-in-vitro-experimental-validation
#5
Xiuqing Zhang, Ting Liu, Xiaohui Fan, Ni Ai
In silico modeling of blood-brain barrier (BBB) permeability plays an important role in early discovery of central nervous system (CNS) drugs due to its high-throughput and cost-effectiveness. Natural products (NP) have demonstrated considerable therapeutic efficacy against several CNS diseases. However, BBB permeation property of NP is scarcely evaluated both experimentally and computationally. It is well accepted that significant difference in chemical spaces exists between NP and synthetic drugs, which calls into doubt on suitability of available synthetic chemical based BBB permeability models for the evaluation of NP...
June 7, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28627658/shikonin-promotes-adriamycin%C3%A2-induced-apoptosis-by-upregulating-caspase%C3%A2-3-and-caspase%C3%A2-8-in-osteosarcoma
#6
Qing Yang, Suoyuan Li, Zeze Fu, Binhui Lin, Zifei Zhou, Zhuoying Wang, Yingqi Hua, Zhengdong Cai
Osteosarcoma is the most common primary malignant bone tumor. Cancer cells employ a host of mechanisms to develop resistance to adriamycin (ADM) or other chemotherapeutic drugs. Shikonin (SK), an active constituent extracted from a Chinese medicinal herb, has been shown to cooperate with ADM in the treatment of osteosarcoma and certain other types of cancer by contributing to the response rate of chemotherapy and the side effects. The aim of the present study was to investigate the role and underlying mechanism of SK in chemotherapy for osteosarcoma...
June 8, 2017: Molecular Medicine Reports
https://www.readbyqxmd.com/read/28626076/cardiac-fibroblast-transcriptome-analyses-support-a-role-for-interferogenic-profibrotic-and-inflammatory-genes-in-anti-ssa-ro-associated-congenital-heart-block
#7
Robert M Clancy, Androo J Markham, Tanisha Jackson, Sara E Rasmussen, Miroslav Blumenberg, Jill P Buyon
The signature lesion of SSA/Ro autoantibody-associated congenital heart block (CHB) is fibrosis and a macrophage infiltrate, supporting an experimental focus on cues influencing the fibroblast component. The transcriptomes of human fetal cardiac fibroblasts were analyzed using two complementary approaches. Cardiac injury conditions were simulated in vitro by incubating human fetal cardiac fibroblasts with supernatants from macrophages transfected with the SSA/Ro-associated hY3. The top ten upregulated transcripts in the stimulated fibroblasts reflected a type I interferon (IFN) response (e...
June 16, 2017: American Journal of Physiology. Heart and Circulatory Physiology
https://www.readbyqxmd.com/read/28624524/a-direct-comparison-of-porcine-strattice%C3%A2-and-bovine-surgimend%C3%A2-acellular-dermal-matrices-in-implant-based-immediate-breast-reconstruction
#8
Jessica F Ball, Yezen Sheena, Dina M Tarek Saleh, Parto Forouhi, Sarah L Benyon, Michael S Irwin, Charles M Malata
INTRODUCTION: Acellular dermal matrix (ADM) assisted implant-based breast reconstruction (IBBR) has grown in popularity over traditional submuscular techniques. Numerous human, bovine or porcine derived ADMs are available with the type used varying considerably worldwide. Yet, comparative evidence for the efficacy of different ADMs particularly xenogenic is limited. This study directly compares early outcomes of porcine (Strattice™) and bovine (Surgimend™) ADMs in IBBR. METHOD: Retrospective study of sequential experience of immediate IBBR using Strattice or Surgimend ADM...
May 19, 2017: Journal of Plastic, Reconstructive & Aesthetic Surgery: JPRAS
https://www.readbyqxmd.com/read/28624363/brazilian-red-propolis-effects-on-peritoneal-macrophage-activity-nitric-oxide-cell-viability-pro-inflammatory-cytokines-and-gene-expression
#9
Bruno Bueno-Silva, Dione Kawamoto, Ellen S Ando-Suguimoto, Renato C V Casarin, Severino M Alencar, Pedro L Rosalen, Marcia P A Mayer
ETHNOPHARMACOLOGICAL RELEVANCE: Propolis has been used in folk medicine since ancient times and it presented inhibitory effect on neutrophil recruitment previously. However, its effect on macrophage obtained from mice remains unclear. AIM OF THE STUDY: to demonstrate BRP effects on LPS activated peritoneal macrophage. MATERIALS AND METHODS: Peritoneal macrophages, obtained from C57BL6 mice and activated with LPS, were treated with 50 to 80µg/mL of crude extract of Brazilian red propolis (BRP) during 48hours...
June 14, 2017: Journal of Ethnopharmacology
https://www.readbyqxmd.com/read/28621496/adrenomedullin-regulates-the-speed-of-oviductal-fluid-flow-in-cattle
#10
Yuka Yoshimoto, Takumi Nishie, Sayaka Ito, Yoshihiko Kobayashi, Yuki Yamamoto, Kiyoshi Okuda, Koji Kimura
Unidirectional flow of oviductal fluid from the ovarian to uterine side of the ampulla plays a significant role in successful pregnancy, and is produced by ciliary beating. Various systems regulate ciliary beating, such as paracrine, autocrine, and endocrine. We hypothesized that Adrenomedullin (ADM) - a peptide hormone that acts via its receptors, which are complexes of Calcitonin receptor-like receptor (CRLR) and Receptor activity-modifying protein (RAMP) 2 or 3-promotes oviductal fluid flow in the ampulla of bovine oviducts...
June 16, 2017: Molecular Reproduction and Development
https://www.readbyqxmd.com/read/28617496/a-reconstructed-anatase-001-1-%C3%A3-4-surface-and-its-reactivity
#11
Meiling Xu, Sheng Wang, Hui Wang
An anatase TiO2(001) surface has shown great potential as an ideal and powerful photocatalyst due to its chemical stability, nontoxicity, and high reactivity. However, the fundamental atomic structure of the reconstructed anatase (001)-(1 × 4) surface is still under debate, which greatly impedes further exploration of its chemical activity. Herein, the anatase (001)-(1 × 4) surface reconstruction and the photocatalytic reactivity have been extensively studied using an effective surface structure searching method in combination with the first-principles calculations...
June 15, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28616933/split-hand-index-and-ulnar-to-median-ratio-in-hirayama-disease-and-amyotrophic-lateral-sclerosis
#12
Jayantee Kalita, Surendra Kumar, Usha K Misra, Zafar Neyaz
OBJECTIVE: We report the relative usefulness of split hand index (SHI) and ulnar to median (UM) ratio in Hirayama disease (HD) and amyotrophic lateral sclerosis (ALS). METHODS: The patients with HD, ALS and matched controls were subjected to evaluation of UM ratio and SHI. Compound muscle action potentials (CMAPs) were recorded from abductor digit minimi (ADM) and first dorsal interosseous (FDI) by stimulating ulnar nerve at the wrist, and abductor pollicis brevis (APB) by stimulating median nerve at the wrist...
June 15, 2017: Amyotrophic Lateral Sclerosis and Frontotemporal Degeneration
https://www.readbyqxmd.com/read/28614059/apigenin-sensitizes-bel-7402-adm-cells-to-doxorubicin-through-inhibiting-mir-101-nrf2-pathway
#13
Ai-Mei Gao, Xiao-Yu Zhang, Zun-Ping Ke
Chemo-resistance is one of the main obstacle in hepatocellular carcinoma therapy. Apigenin as a natural bioflavonoid has been exhibited anti-cancer properties in various malignant cancers. The aim of this study is to evaluate the potential chemo-sensitization effect of apigenin in doxorubicin-resistant hepatocellular carcinoma cell line BEL-7402/ADM and to investigate its possible mechanism. We found that apigenin significantly reversed doxorubicin sensitivity and induced caspase-dependent apoptosis in BEL-7402/ADM cells...
May 30, 2017: Oncotarget
https://www.readbyqxmd.com/read/28609624/in-silico-absorption-distribution-metabolism-excretion-and-pharmacokinetics-adme-pk-utility-and-best-practices-an-industry-perspective-from-the-international-consortium-for-innovation-through-quality-in-pharmaceutical-development
#14
Franco Lombardo, Prashant V Desai, Rieko Arimoto, Kelly E Desino, Holger Fischer, Christopher E Keefer, Carl Petersson, Susanne Winiwarter, Fabio Broccatelli
In silico tools to investigate absorption, distribution, metabolism, excretion and pharmacokinetics (ADME-PK) properties of new chemical entities are an integral part of the current industrial drug discovery paradigm. While many companies are active in the field, scientists engaged in this area don't necessarily share the same background and have limited resources when seeking guidance on how to initiate and maintain an in silico ADME-PK infrastructure in an industrial setting. This work summarizes the views of a group of industrial in silico and experimental ADME scientists, participating in the In Silico ADME Working Group, a subgroup of the International Consortium for Innovation through Quality in Pharmaceutical Development (IQ) Drug Metabolism Leadership Group...
June 13, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28609505/creation-of-a-zone-of-immobile-connective-tissue-with-acellular-dermal-matrix-allografts
#15
Ramzi V Abou-Arraj, Maninder Kaur, Philip J Vassilopoulos, Nicolaas C Geurs
Acellular dermal matrix allografts (ADMs) have been hypothesized to create a zone of immobile connective tissue (ICT) extending apical to the mucogingival junction (MGJ). This 12-month prospective randomized trial investigated the presence of ICT after the use of two commercially available ADMs with coronally advanced flaps in the treatment of Miller Class I and II recession defects. This study demonstrated that the use of either type of ADM resulted in predictable root coverage and a zone of ICT extending apical to the MGJ by 1...
July 2017: International Journal of Periodontics & Restorative Dentistry
https://www.readbyqxmd.com/read/28605205/analysis-of-factors-influencing-drain-amount-time-to-drain-removal-and-seroma-formation-in-patients-undergoing-immediate-expander-implant-breast-reconstruction
#16
Kyong-Je Woo, Joo Myong Paik, Goo-Hyun Mun, Jai-Kyong Pyon, Byung-Joon Jeon, Sa Ik Bang
BACKGROUND: Placement of a closed suction drain is a common cause of patient complaints, such as postoperative pain or discomfort following immediate expander-implant breast reconstruction. This study aims to identify factors that affect drainage volume, time to drain removal, and seroma formation. METHODS: A retrospective chart review of prospectively collected data was conducted on patients who underwent immediate expander-implant breast reconstructions following nipple-sparing or skin-sparing mastectomy without skin excision (nipple areolar complex excision only) between February 2010 and April 2015...
June 12, 2017: Journal of Plastic Surgery and Hand Surgery
https://www.readbyqxmd.com/read/28601875/activities-of-mscs-derived-from-transgenic-mice-seeded-on-adm-scaffolds-in-wound-healing-and-assessment-by-advanced-optical-techniques
#17
Ning Wang, Hanping Liu, Xuefeng Li, Qilei Zhang, Maosheng Chen, Ying Jin, Xiaoyuan Deng
BACKGROUND/AIMS: Bone marrow Mesenchymal stem cells (MSCs) are promising for promoting cutaneous wound healing through reinforcing cellular processes. We evaluated the effect of GFP-tagged MSCs transplantation on skin regeneration in excisional wounds in mice. METHODS: MSCs from GFP-labeled transgenic mice were co-cultured with acellular dermal matrix (ADM) scaffolds, and MSC-ADM scaffolds were transplanted into surgical skin wounds of BALB/c mice. After implantation, the survival and behavior of MSCs were examined by second harmonic generation and two-photon excitation fluorescence imaging, western blotting and DNA amplification and sequencing...
June 9, 2017: Cellular Physiology and Biochemistry
https://www.readbyqxmd.com/read/28600513/trpc5-induced-autophagy-promotes-drug-resistance-in-breast-carcinoma-via-camkk%C3%AE-ampk%C3%AE-mtor-pathway
#18
Peng Zhang, Xiaoyu Liu, Hongjuan Li, Zhen Chen, Xiaoqiang Yao, Jian Jin, Xin Ma
Adriamycin is a first-line chemotherapy agent against cancer, but the development of resistance has become a major problem. Although autophagy is considered to be an adaptive survival response in response to chemotherapy and may be associated with chemoresistance, its inducer and the underlying molecular mechanisms remain unclear. Here, we demonstrate that adriamycin up-regulates the both levels of TRPC5 and autophagy, and the increase in autophagy is mediated by TRPC5 in breast cancer cells. Blockade of TRPC5 or autophagy increased the sensitivity to chemotherapy in vitro and in vivo...
June 9, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28599480/downregulation-of-eif4g-by-microrna-503-enhances-drug-sensitivity-of-mcf-7-adr-cells-through-suppressing-the-expression-of-abc-transport-proteins
#19
Xia Pan, Xiaoyan Yang, Jinglei Zang, Si Zhang, Nan Huang, Xinxin Guan, Jianhua Zhang, Zhihui Wang, Xi Li, Xiaoyong Lei
Overexpression of adenosine triphosphate-binding cassette (ABC) transport protein is emerging as a critical contributor to anticancer drug resistance. The eukaryotic translation initiation factor (eIF) 4F complex, the key modulator of mRNA translation, is regulated by the phosphoinositide 3-kinase-AKT-mammalian target of rapamycin pathway in anticancer drug-resistant tumors. The present study demonstrated the roles of ABC translation protein alterations in the acquisition of the Adriamycin (ADM)-resistant phenotype of MCF-7 human breast cells...
June 2017: Oncology Letters
https://www.readbyqxmd.com/read/28595533/recent-advances-of-computational-modeling-for-predicting-drug-metabolism-a-perspective
#20
Supratik Kar, Jerzy Leszczynski
Absorption, Distribution, Metabolism, Excretion (ADME) properties along with drug induced adverse effects are the major reasons for the late stage failure of drug candidates as well as cause for the expensive withdrawal of many approved drugs from the market. Considering adverse effects of drugs, metabolism factor has great importance in medicinal chemistry and clinical pharmacology because it influences the deactivation, activation, detoxification and toxification of drugs. Computational methods are effective approaches to reduce the number of safety issues by analyzing possible links between chemical structures and metabolism followed by adverse effects, as they serve the integration of information on several levels to enhance the reliability of outcomes...
June 6, 2017: Current Drug Metabolism
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