scholarly journals Mapping Compound Databases to Disease Maps—A MINERVA Plugin for CandActBase

2021 ◽  
Vol 11 (11) ◽  
pp. 1072
Author(s):  
Liza Vinhoven ◽  
Malte Voskamp ◽  
Manuel Manfred Nietert
Keyword(s):  
Cystic Fibrosis ◽  
Drug Discovery ◽  
Molecular Interactions ◽  
Use Case ◽  
The Third ◽  
Compound Database ◽  
Case Application ◽  
Application Specific

The MINERVA platform is currently the most widely used platform for visualizing and providing access to disease maps. Disease maps are systems biological maps of molecular interactions relevant in a certain disease context, where they can be used to support drug discovery. For this purpose, we extended MINERVA’s own drug and chemical search using the MINERVA plugin starter kit. We developed a plugin to provide a linkage between disease maps in MINERVA and application-specific databases of candidate therapeutics. The plugin has three main functionalities; one shows all the targets of all the compounds in the database, the second is a compound-based search to highlight targets of specific compounds, and the third can be used to find compounds that affect a certain target. As a use case, we applied the plugin to link a disease map and compound database we previously established in the context of cystic fibrosis and, herein, point out possible issues and difficulties. The plugin is publicly available on GitLab; the use-case application to cystic fibrosis, connecting disease maps and the compound database CandActCFTR, is available online.

Taking Cell Culture in Drug Discovery to the Third Dimension - A Patent Review

2008 ◽  
Vol 1 (2) ◽  
pp. 103-115
Author(s):  
Yinzhi Lai ◽  
Lina Wang ◽  
Ke Cheng ◽  
William Kisaalita
Keyword(s):  
Cell Culture ◽  
Drug Discovery ◽  
The Third ◽  
Patent Review ◽  
Third Dimension

The role of stem cells in cystic fibrosis disease modeling and drug discovery

2018 ◽  
Vol 6 (12) ◽  
pp. 707-717
Author(s):  
Massimo Conese ◽  
Elisa Beccia ◽  
Annalucia Carbone ◽  
Stefano Castellani ◽  
Sante Di Gioia ◽  
...  
Keyword(s):  
Cystic Fibrosis ◽  
Stem Cells ◽  
Drug Discovery ◽  
Disease Modeling

Tobramycin-Induced Hypersensitivity Reaction

1995 ◽  
Vol 29 (7-8) ◽  
pp. 704-706 ◽  
Author(s):  
Janet S Schretlen-Doherty ◽  
William G Troutman
Keyword(s):  
Cystic Fibrosis ◽  
Pseudomonas Aeruginosa ◽  
Hypersensitivity Reaction ◽  
Aminoglycoside Antibiotic ◽  
Drug Regimen ◽  
Hypersensitivity Reactions ◽  
Left Chest ◽  
The Third ◽  
Access System ◽  
Case Summary

Objective: To report a case of a hypersensitivity reaction associated with the use of intravenous tobramycin in a patient with cystic fibrosis. Case Summary: An 18-year-old man was hospitalized for exacerbation of his cystic fibrosis. Tobramycin 125 mg iv q6h and ceftazidime 2 g iv q8h were administered through the patient's implantable access system in the left chest. Within seconds of receiving the third dose of tobramycin, the patient experienced shaking, his left arm turned white, and urticaria and pruritus were noted on the left side of the patient's chest. The patient had experienced a similar incident, accompanied by breathing difficulty, with intravenous tobramycin 4 years príor to this incident. The patient had been skin-tested for tobramycin allergy and had been desensitized and was receiving tobramycin since that time without incident. The patient's desensitization was maintained with tobramycin 160 mg/d hs by nebulization, but the drug had been discontinued by the patient 6 months prior to the latest event. Discussion: Hypersensitivity reactions to aminoglycosides are unusual. Hypersensitivity to 1 aminoglycoside antibiotic frequently is associated with hypersensitivity to at least 1 other aminoglycoside. In patients who develop hypersensitivity to an aminoglycoside antibiotic, desensitization may be an effective alternative to changing therapy. Conclusions: Tobramycin is very important in the drug regimen for Pseudomonas aeruginosa infections in patients with cystic fibrosis. Effective desensitization can be maintained by daily administration of nebulized tobramycin.

Monitoring Services in a Federated Cloud

2012 ◽  
pp. 242-265 ◽  
Author(s):  
Stuart Clayman ◽  
Giovanni Toffetti ◽  
Alex Galis ◽  
Clovis Chapman
Keyword(s):  
Cloud Computing ◽  
Crystal Structures ◽  
Monitoring System ◽  
Computational Prediction ◽  
Use Case ◽  
Cloud Environment ◽  
Reservoir Architecture ◽  
Service Monitoring ◽  
Case Application ◽  
Service Cloud

This chapter presents the need, the requirements, and the design for a monitoring system that is suitable for supporting the operations and management of a Federated Cloud environment. The chapter discusses these issues within the context of the RESERVOIR Service Cloud computing project. It first presents the RESERVOIR architecture itself, then introduces the issues of service monitoring in a federated environment, together with the specific solutions that have been devised for RESERVOIR. It ends with a review of the authors’ experience in this area by showing a use-case application executing on RESERVOIR, which is responsible for the computational prediction of organic crystal structures.

scholarly journals The IUPHAR/BPS Guide to PHARMACOLOGY in 2020: extending immunopharmacology content and introducing the IUPHAR/MMV Guide to MALARIA PHARMACOLOGY

2019 ◽  
Author(s):  
Jane F Armstrong ◽  
Elena Faccenda ◽  
Simon D Harding ◽  
Adam J Pawson ◽  
Christopher Southan ◽  
...  
Keyword(s):  
Drug Discovery ◽  
Open Access ◽  
Molecular Interactions ◽  
Malaria Parasite ◽  
Antimalarial Activity ◽  
Molecular Targets ◽  
Interaction Data ◽  
Data Types ◽  
Global Challenge ◽  
Screening Assays

Abstract The IUPHAR/BPS Guide to PHARMACOLOGY (www.guidetopharmacology.org) is an open-access, expert-curated database of molecular interactions between ligands and their targets. We describe significant updates made over the seven releases during the last two years. The database is notably enhanced through the continued linking of relevant pharmacology with key immunological data types as part of the IUPHAR Guide to IMMUNOPHARMACOLOGY (www.guidetoimmunopharmacology.org) and by a major new extension, the IUPHAR/MMV Guide to Malaria PHARMACOLOGY (www.guidetomalariapharmacology.org). The latter has been constructed in partnership with the Medicines for Malaria Venture, an organization dedicated to identifying, developing and delivering new antimalarial therapies that are both effective and affordable. This is in response to the global challenge of over 200 million cases of malaria and 400 000 deaths worldwide, with the majority in the WHO Africa Region. It provides new pharmacological content, including molecular targets in the malaria parasite, interaction data for ligands with antimalarial activity, and establishes curation of data from screening assays, used routinely in antimalarial drug discovery, against the whole organism. A dedicated portal has been developed to provide quick and focused access to these new data.

scholarly journals Liver Transplantation for Cirrhosis in Cystic Fibrosis

2006 ◽  
Vol 20 (7) ◽  
pp. 475-478 ◽  
Author(s):  
T Lamireau ◽  
S Martin ◽  
M Lallier ◽  
JE Marcotte ◽  
F Alvarez
Keyword(s):  
Cystic Fibrosis ◽  
Liver Transplantation ◽  
Portal Hypertension ◽  
Pulmonary Function ◽  
Hepatic Failure ◽  
Hepatic Transplantation ◽  
Significant Deterioration ◽  
Postoperative Course ◽  
The Third ◽  
Cystic Fibrosis Population

BACKGROUND: Liver disease is the third most common cause of death in children with cystic fibrosis (CF). Liver transplantation is an effective treatment in children with hepatic failure.AIMS: The objective of the present study was to review the indications and postoperative course of hepatic transplantation in a cystic fibrosis population.PATIENTS: Five children with CF, at a mean age of 16.5 years, underwent liver transplantation.RESULTS: All patients showed cirrhosis, portal hypertension and hepatic failure. The main postoperative complication was ascites refractory to treatment in two patients. No significant deterioration of the pulmonary function was noted. Two patients died, one of Hodgkin lymphoma and the other of progressive pulmonary failure.CONCLUSION: Liver transplantation was indicated in children with CF when hepatic failure and/or severe portal hypertension was present with well-preserved pulmonary function.

scholarly journals BIOFACQUIM: A Mexican Compound Database of Natural Products

Biomolecules ◽  
2019 ◽  
Vol 9 (1) ◽  
pp. 31 ◽  
Author(s):  
B. Pilón-Jiménez ◽  
Fernanda Saldívar-González ◽  
Bárbara Díaz-Eufracio ◽  
José Medina-Franco
Keyword(s):  
Natural Products ◽  
Drug Discovery ◽  
Physicochemical Properties ◽  
Chemical Space ◽  
Structural Diversity ◽  
Proof Of Concept ◽  
Molecular Fingerprints ◽  
The Public ◽  
Compound Database

Compound databases of natural products have a major impact on drug discovery projects and other areas of research. The number of databases in the public domain with compounds with natural origins is increasing. Several countries, Brazil, France, Panama and, recently, Vietnam, have initiatives in place to construct and maintain compound databases that are representative of their diversity. In this proof-of-concept study, we discuss the first version of BIOFACQUIM, a novel compound database with natural products isolated and characterized in Mexico. We discuss its construction, curation, and a complete chemoinformatic characterization of the content and coverage in chemical space. The profile of physicochemical properties, scaffold content, and diversity, as well as structural diversity based on molecular fingerprints is reported. BIOFACQUIM is available for free.

Sign in / Sign up

Export Citation Format

Share Document