Integrating findings of traditional medicine with modern pharmaceutical research: the potential role of linked open data

One of the biggest obstacles to progress in modern pharmaceutical research is the difficulty of integrating all available research findings into effective therapies for humans. Studies of traditionally used pharmacologically active plants and other substances in traditional medicines may be valuable sources of previously unknown compounds with therapeutic actions. However, the integration of findings from traditional medicines can be fraught with difficulties and misunderstandings. This article proposes an approach to use linked open data and Semantic Web technologies to address the heterogeneous data integration problem. The approach is based on our initial experiences with implementing an integrated web of data for a selected use-case, i.e., the identification of plant species used in Chinese medicine that indicate potential antidepressant activities

Science Across Borders: 5th Annual Natural Health Product Research Conference—March 26–29, 2008, Toronto, Canada

Canada is experiencing a growing interest in the use of alternative therapies and products particularly natural health products (NHP). In 1997, Canadians spent around C$ 2 billion on NHP. In an attempt to catch with this popularity of NHP use, Canadian researchers and administrators from academia, industry and government jointly established the Natural Health Product Research Society of Canada (NHPRS). Since its formation, NHPRS has been organizing an annual meeting which brings together world renowned researchers and experts in the area of NHP research. For 2008, the annual NHPRS meeting took place in Toronto from the 26th to 29th of March with a focus on ‘Science Across Borders: Global Natural Health Products Research’. The scientific program was spread into three days of plenary lectures and oral presentations. The different sessions containing these talks were on: ethnobotany around the world; chemical analysis of NHP; product standards and quality control; ethnomedicine; novel analytical approaches; systemic research, nutrisciences and molecular medicine; and drug development from NHP. The meeting proved to be a great success in terms of the speakers that were invited and based on the data that was presented which highlighted recent research taking place in the field of NHP not only in Canada but from many parts of the world

An Investigation on Integrating Eastern and Western Medicine with Informatics

Today, in many western countries, acceptance of alternate forms of healthcare such as Chinese medicine (CM) is increasing. In fact, countries such as Australia, Canada, and England are going so far as to set regulations, education, and standards regarding the practice of CM in these respective countries. Further, we can see the integration between western and Chinese medicine delivery of care and treatments in many instances. Information Systems and Information Technology (IS/IT) can be a key enabler in assisting this integration. The following study examines aspects of such integrations using IS/IT and identifies that CM IS/IT is more likely to succeed when there is synthesis between key aspects of the unique environment and user requirements. This perspective is supported theoretically by adapting Churchman’s Inquiring Systems to frame CM as a combination of Hegelian and Kantian inquiring systems with the support of Singerian, Lockean, and Leibnizian inquiring systems and Knowledge Management (KM) features. Based on this, the study then proposes a new design for a patient management system in clinics and hospitals

Exploring the Ligand-Protein Networks in Traditional Chinese Medicine: Current Databases, Methods, and Applications

The traditional Chinese medicine (TCM), which has thousands of years of clinical application among China and other Asian countries, is the pioneer of the "multicomponent-multitarget" and network pharmacology. Although there is no doubt of the efficacy, it is difficult to elucidate convincing underlying mechanism of TCM due to its complex composition and unclear pharmacology. The use of ligand-protein networks has been gaining significant value in the history of drug discovery while its application in TCM is still in its early stage. This paper firstly surveys TCM databases for virtual screening that have been greatly expanded in size and data diversity in recent years. On that basis, different screening methods and strategies for identifying active ingredients and targets of TCM are outlined based on the amount of network information available, both on sides of ligand bioactivity and the protein structures. Furthermore, applications of successful in silico target identification attempts are discussed in detail along with experiments in exploring the ligand-protein networks of TCM. Finally, it will be concluded that the prospective application of ligand-protein networks can be used not only to predict protein targets of a small molecule, but also to explore the mode of action of TCM

Semantic Web for data harmonization in Chinese medicine

Scientific studies to investigate Chinese medicine with Western medicine have been generating a large amount of data to be shared preferably under a global data standard. This article provides an overview of Semantic Web and identifies some representative Semantic Web applications in Chinese medicine. Semantic Web is proposed as a standard for representing Chinese medicine data and facilitating their integration with Western medicine data

Computational discovery of novel anthelmintic natural compounds from Agave Brittoniana trel. Spp. Brachypus

Helminth infections are a medical problem in the world nowadays. This report used bond-based 2D quadratic indices, a bond-level QuBiLs-MAS molecular descriptor family, and Linear Discriminant Analysis (LDA) to obtain a quantitative linear model that discriminates between anthelmintic and non-anthelmintic drug-like organic-compounds. The model obtained correctly classified 87.46% and 81.82% of the training and external data sets, respectively. The developed model was used in a virtual screening to predict the biological activity of all chemicals (19) previously obtained and chemically characterized by some authors of this report from Agave brittoniana Trel. spp. Brachypus. The model identified several metabolites (12) as possible anthelmintics, and a group of 5 novel natural products was tested in an in vitro assay against Fasciola hepatica (100% effectivity at 500 µg/mL). Finally, the two best hits were evaluated in vivo in bald/c mice and the same helminth parasite using a 25 mg/kg dose. Compound 8 (Karatavinoside A) showed an efficacy of 92.2% in vivo. It is important to remark that this natural compound exhibits similar-to-superior activity as triclabendazole, the best human fasciolicide available in the market against Fasciola hepatica, resulting in a novel lead scaffold with anti-helminthic activity.15 página

Isolation and Analysis of Characteristic Compounds from Herbal and Plant Extracts

Herbal and plant extracts show diverse activities and have been used for centuries as natural medicines for many health problems and diseases. Through the isolation and analysis of the compounds in the extracts, it is possible to understand why the extracts exhibit those activities, as well as the chemical metabolism of compounds that occur in plants and herbs. Recently, there have been increasing attempts to develop herbal and plant extracts into functional foods and drugs, but the legal requirements are becoming stricter. We need sophisticatedly defined extracts through the isolation and analysis of compounds comprising them in order to meet the legal requirements and to pursue quality control strategies in the production of functional foods and drugs. This Special Issue Book compiled the 15 recent research and review articles that highlight the isolation, profiling, and analysis of compounds in herbal and plant extracts, as well as quality control and standardized processing strategies for extracts with characteristic compounds