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Drug drug interaction

Liankang Sun, Ke Chen, Zhengdong Jiang, Xin Chen, Jiguang Ma, Qingyong Ma, Wanxing Duan
Increasing evidence indicates that pancreatic stellate cells (PSCs) are responsible for the stromal reaction in pancreatic ductal adenocarcinoma (PDAC). The interaction between activated PSCs and PDAC cells and the resultant stromal reaction facilitate cancer progression. Previous findings suggested that cyclooxygenase‑2 (COX‑2) may have a profound role in regulating the proliferation and activation of PSCs in response to pancreatic cancer. Indometacin, a well‑known anti‑inflammatory drug and a non‑selective inhibitor of COX‑2, has been shown to exert anticancer effects in various types of cancer, including PDAC...
May 2018: Oncology Reports
Jianchang Xu, Shuangqing Sun, Zhikun Wang, Shiyuan Peng, Songqing Hu, Lijuan Zhang
Dissipative particle dynamics (DPD) simulation is used to study the effect of pH on the morphological transition in micelles assembled from dirhamnolipids (diRLs), and analyze the pH-driven mechanism and influence factors of micellar surface patterns. At pH < 4.0, various multilayer structures with homogeneous surface patterns are observed, whereas diRLs can self-assemble into novel anisotropic morphologies with phase-separated surface patterns at pH > 7.4, such as patchy spherical micelles, rod-like micelles with helical surface patterns and a lamellar phase with anisotropic surface patterns...
March 22, 2018: Physical Chemistry Chemical Physics: PCCP
Ravit Malishev, Razan Abbasi, Raz Jelinek, Liraz Chai
Biofilms are aggregates of cells that form surface-associated communities. The cells in a biofilm are interconnected with an extracellular matrix, a network that is made mostly of polysaccharides, proteins and sometimes nucleic acids. Some extracellular matrix proteins form fibers, often termed functional amyloids or amyloid-like fibrils, to differentiate their constructive function from disease-related amyloid fibers. Recent studies of functional amyloid assembly have neglected their interaction with membranes, despite their native assembly in a cellular environment...
March 22, 2018: Biochemistry
Konda Reddy Karnati, Yixuan Wang
Two widely used anticancer drugs, doxorubicin (DOX) and paclitaxel (PTX), possess distinct physical properties and chemotherapy specificity. In order to investigate their interaction mechanism with single-walled carbon nanotubes (SWCNTs), co-loading and releasing from the SWCNTs, all-atom molecular dynamics (MD) simulations were firstly carried out for different SWCNT systems, followed by binding free energy calculation with MM-PBSA. The results indicate that the co-loading of DOX and PTX onto the pristine SWCNT is exothermic and spontaneous...
March 22, 2018: Physical Chemistry Chemical Physics: PCCP
Qingfen Yu, Sameh Othman, Sabyasachi Dasgupta, Thorsten Auth, Gerhard Gompper
Nanoparticles in biological systems encounter lipid-bilayer membranes as barriers. They interact with plasma membranes, membranous organelles, such as the endoplasmic reticulum and the Golgi apparatus, the nucleus, and intracellular and extracellular vesicles, such as autophagosomes, lysosomes, and exosomes. Extracellular vesicles have recently attracted particular attention, as they are involved in the transmission of biological signals and as regulators for biological processes. For example, exosomes, small vesicles containing proteins, mRNA, and miRNA, that are released by cells into the extracellular environment, have been suggested to participate in tumor metastasis...
March 22, 2018: Nanoscale
Bamigboye J Taiwo, Olujide O Olubiyi, Fanie R van Heerden
Nigerian medicinal plants have been demonstrated to be veritable source of lead compounds for drug discovery efforts. One such example is mangiferin. Mangiferin was originally isolated from the Nigerian plant Ceiba pentandra (Mombacaceae), after which its structure was elucidated with the aid of spectroscopy. Mangiferin, a xanthone glycoside, has also been reported in certain other plant families including Gentianaceae and Anacardiaceae. In certain other climes and different parts of the world, folkloric and traditional medicine has extensively employed Mangifera indica (another source of mangiferin) in treating different diseases...
March 20, 2018: Current Computer-aided Drug Design
Madhusudhanan Gogul Ramnath, Ramaraj Thirugnanasampandan, Nagarajan NagaSundaram, Gunasekaran Bhuvaneswari
BACKGROUND: Genus Isodon (Lamiaceae) is a prolific source for bioactive terpenoids. Nowadays, people move towards natural products because of undesirable effects of chemotherapeutic drugs. OBJECTIVE: In silico and in vitro approach were attempted to screen bioactive terpenoids isolated from Isodon wightii with acetylcholinesterase and histone deacetylase3 receptors, Methods: Terpenoids such as abietic acid, oleanolic acid, α-amyrin acetate, β-amyrin acetate were docked with AchE and HDAC3 receptors using AutoDock Vina (version 1...
March 20, 2018: Current Computer-aided Drug Design
Luan Carvalho Martins, Pedro Henrique Monteiro Torres, Renata Barbosa de Oliveira, Pedro Geraldo Pascutti, Elio A Cino, Rafaela Salgado Ferreira
Chagas disease remains a major health problem in South America, and throughout the world. The two drugs clinically available for its treatment have limited efficacy and cause serious adverse effects. Cruzain is an established therapeutic target of Trypanosoma cruzi, the protozoan that causes Chagas disease. Our group recently identified a competitive cruzain inhibitor (compound 1) with an IC50  = 15 µM that is also more synthetically accessible than the previously reported lead, compound 2. Prior studies, however, did not propose a binding mode for compound 1, hindering understanding of the structure-activity relationship and optimization...
March 21, 2018: Journal of Computer-aided Molecular Design
Xun Liu, Yang Zhang, Zhanhong Hu, Qian Li, Lu Yang, Guoqiang Xu
The ubiquitin proteasome system (UPS) plays important roles in the regulation of protein stability, localization, and activity. A myriad of studies have focused on the functions of ubiquitin ligases E3s and deubiquitinating enzymes DUBs due to their specificity in the recognition of downstream substrates. However, the roles of the most ubiquitin-conjugating enzymes E2s are not completely understood except that they transport the activated ubiquitin and form E2-E3 protein complexes. Ubiquitin-conjugating enzyme CDC34 can promote the degradation of downstream targets through the UPS whereas its non-catalytic functions are still elusive...
March 21, 2018: Protein Journal
J J Brugts, G C M Linssen, A W Hoes, H P Brunner-La Rocca
AIMS: Data from patient registries give insight into the management of patients with heart failure (HF), but actual data from unselected real-world HF patients are scarce. Therefore, we performed a cross sectional study of current HF care in the period 2013-2016 among more than 10,000 unselected HF patients at HF outpatient clinics in the Netherlands. METHODS: In 34 participating centres, all 10,910 patients with chronic HF treated at cardiology centres were included in the CHECK-HF registry...
March 21, 2018: Netherlands Heart Journal
Hui Li, Xiang Zhou, Dongbao Yao, Haojun Liang
Herein, a class of pH-responsive spherical nucleic acid (SNA) nanostructures prepared by functionalizing gold nanoparticles with DNA nanodevices is presented, which can perform duplex-to-triplex transition upon pH change via pH-sensitive parallel Hoogsteen interactions. The SNA nanostructures exhibit tunable pH sensitivity and a highly rapid and reversible allosteric effect. Furthermore, they can exactly image lysosomes in living cells. We next engineered pH-triggered doxorubicin(Dox)-SNA conjugates that could deliver Dox molecules into cancer cells and achieve pH-dependent drug release...
March 22, 2018: Chemical Communications: Chem Comm
Tanveer A Wani, Ahmed H Bakheit, M A Abounassif, Seema Zargar
Binding of therapeutic agents to plasma proteins, particularly to serum albumin, provides valuable information in the drug development. This study was designed to evaluate the binding interaction of neratinib with bovine serum albumin (BSA). Neratinib blocks HER2 signaling and is effective in trastuzumab-resistant breast cancer treatment. Spectrofluorometric, UV spectrophotometric, and fourier transform infrared (FT-IR) and molecular docking experiments were performed to study this interaction. The fluorescence of BSA is attributed to the presence of tryptophan (Trp) residues...
2018: Frontiers in Chemistry
Sarath Chandra Veerla, Da Reum Kim, Sung Yun Yang
Background: Controlled drug delivery system is highly important for not only prolonged the efficacy of drug but also cellular development for tissue engineering. A number of biopolymer composites and nanostructured carriers behave been used for the controlled drug delivery of therapeutics. Recently, in vitro microfluidic devices that mimic the human body have been developed for drug-delivery applications. Methods: A microfluidic channel was fabricated via a two-step process: (i) polydimethyl siloxane (PDMS) and curing agent were poured with a 10:2 mass ratio onto an acrylic mold with two steel pipes, and (ii) calcium alginate beads were synthesized using sodium alginate and calcium chloride solutions...
2018: Biomaterials Research
Reza Karbalaei, Marzieh Allahyari, Mostafa Rezaei-Tavirani, Hamid Asadzadeh-Aghdaei, Mohammad Reza Zali
Aim: Analysis reconstruction networks from two diseases, NAFLD and Alzheimer`s diseases and their relationship based on systems biology methods. Background: NAFLD and Alzheimer`s diseases are two complex diseases, with progressive prevalence and high cost for countries. There are some reports on relation and same spreading pathways of these two diseases. In addition, they have some similar risk factors, exclusively lifestyle such as feeding, exercises and so on...
2018: Gastroenterology and Hepatology From Bed to Bench
Mohammadreza Seyyed Majidi, Peyman Sanjari Pirayvatlou, Majid Rajabikashani, Mona Firoozabadi, Seyed Ali Seyed Majidi, Jamshid Vafaeimanesh
Aim: The aim of this study was to compare the Helicobacter pylori (HP) eradication regimens in patients with end stage renal disease. Background: In patients undergoing hemodialysis, the pathologic changes seen in the stomach may be the result of high serum levels of gastrin, delayed gastric emptying or HP infection. Methods: Our study was a randomized clinical trial in which 120 patients with ESRD (Patients who undergo hemodialysis) confirmed HP infection, were divided to four groups having 2-week eradication regimens; Group I: LCA (lansoprazole 30 mg-BD,clarithromycin 250 mg-BD, amoxicillin 500 mg-BD), Group II: LCM (lansoprazole 30 mg-BD,clarithromycin 250 mg-BD, metronidazole 500 mg-BD), Group III: LCAM (lansoprazole 30 mg-BD,clarithromycin 250 mg-BD,amoxicillin 500 mg-BD, metronidazole 500 mg-BD) and Group IV: Sequential (lansoprazole 30 mg-BDfor two weeks; first week: amoxicillin 500 mg-BD and second week: clarithromycin 250 mg-BD, metronidazole 500 mg-BD)...
2018: Gastroenterology and Hepatology From Bed to Bench
Florencia Díaz-Viraqué, María Laura Chiribao, Andrea Trochine, Fabiola González-Herrera, Christian Castillo, Ana Liempi, Ulrike Kemmerling, Juan Diego Maya, Carlos Robello
The discovery that trypanosomatids, unicellular organisms of the order Kinetoplastida, are capable of synthesizing prostaglandins raised questions about the role of these molecules during parasitic infections. Multiple studies indicate that prostaglandins could be related to the infection processes and pathogenesis in trypanosomatids. This work aimed to unveil the role of the prostaglandin F2 α synthase Tc OYE in the establishment of Trypanosoma cruzi infection, the causative agent of Chagas disease. This chronic disease affects several million people in Latin America causing high morbidity and mortality...
2018: Frontiers in Immunology
Liliána Tóth, Györgyi Váradi, Attila Borics, Gyula Batta, Zoltán Kele, Ákos Vendrinszky, Roberta Tóth, Hargita Ficze, Gábor K Tóth, Csaba Vágvölgyi, Florentine Marx, László Galgóczy
The increasing number of life-threatening Candida infections caused by antifungal drug-resistant strains urges the development of new therapeutic strategies. The small, cysteine-rich, and cationic Neosartorya fischeri antifungal protein 2 (NFAP2) effectively inhibits the growth of Candida spp. Limiting factors of its future application, are the low-yield production by the native producer, unavailable information about potential clinical application, and the unsolved relationship between the structure and function...
2018: Frontiers in Microbiology
Simona Lattanzi, Francesco Brigo, Claudia Cagnetti, Alberto Verrotti, Gaetano Zaccara, Mauro Silvestrini
Introduction: Up to 30% of the patients diagnosed with epilepsy will continue suffering from seizures despite treatment with antiepileptic drugs, either in monotherapy or polytherapy. Hence, there remains the need to develop new effective and well-tolerated therapies. Aim: The objective of this article was to review the evidence for the efficacy and safety of eslicarbazepine acetate (ESL) as adjunctive treatment in adult patients with focal onset seizures. Evidence review: ESL is the newest, third-generation, single enantiomer member of the dibenzazepine family...
2018: Core Evidence
Andrea Negro, Angela Koverech, Paolo Martelletti
Migraine is an important socioeconomic burden and is ranked the sixth cause of years of life lost because of disability in the general population and the third cause of years of life lost in people younger than 50 years. The cornerstone of pharmacological treatment is represented by the acute therapy. The serotonin (5-hydroxytryptamine [5-HT]) receptor subtype 1B /1D agonists, called triptans, are nowadays the first-line acute therapy for patients who experience moderate-to-severe migraine attacks. Unfortunately, a high percentage of patients are not satisfied with this acute treatment, either for lack of response or side effects...
2018: Journal of Pain Research
Lucy Chen, G V Ramesh Prasad
Tacrolimus is a commonly used immunosuppressant after kidney transplantation. It has a narrow therapeutic range and demonstrates wide interindividual variability in pharmacokinetics, leading to potential underimmunosuppression or toxicity. Genetic polymorphism in CYP3A5 enzyme expression contributes to differences in tacrolimus bioavailability between individuals. Individuals carrying one or more copies of the wild-type allele *1 express CYP3A5, which increases tacrolimus clearance. CYP3A5 expressers require 1...
2018: Pharmacogenomics and Personalized Medicine
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