New Issue | Current Computer-Aided Drug Design; Volume 16 Issue 2

 

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Current Computer-Aided Drug Design aims to publish all the latest developments in drug design based on computational techniques. The field of computer-aided drug design has had extensive impact in the area of drug design.

Current Computer-Aided Drug Design is an essential journal for all medicinal chemists who wish to be kept informed and up-to-date with all the latest and important developments in computer-aided methodologies and their applications in drug discovery. Each issue contains a series of timely, in-depth reviews/mini-reviews, original research articles and letter articles written by leaders in the field, covering a range of computational techniques for drug design, screening, ADME studies, theoretical chemistry; computational chemistry; computer and molecular graphics; molecular modeling; protein engineering; drug design; expert systems; general structure-property relationships; molecular dynamics; chemical database development and usage etc., providing excellent rationales for drug development.

 

Articles from the journal: Current Computer-Aided Drug Design; Volume 16 Issue 2:

 

For details on the articles, please visit this link: http://www.eurekaselect.com/node/582/current-computer-aided-drug-design/issue/16/2727/2/9757

Aims & Scope | Current Computer-Aided Drug Design

 

AIMS & SCOPE

Current Computer-Aided Drug Design aims to publish all the latest developments in drug design based on computational techniques. The field of computer-aided drug design has had extensive impact in the area of drug design.

Current Computer-Aided Drug Design is an essential journal for all medicinal chemists who wish to be kept informed and up-to-date with all the latest and important developments in computer-aided methodologies and their applications in drug discovery. Each issue contains a series of timely, in-depth reviews/mini-reviews, original research articles and letter articles written by leaders in the field, covering a range of computational techniques for drug design, screening, ADME studies, theoretical chemistry; computational chemistry; computer and molecular graphics; molecular modeling; protein engineering; drug design; expert systems; general structure-property relationships; molecular dynamics; chemical database development and usage etc., providing excellent rationales for drug development.

 

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Editor’s Choice Article | Unequal Absorption of Radiolabeled and Nonradiolabeled Drug from the Oral Dose Leads to Incorrect Estimates of Drug Absorption and Circulating Metabolites in a Mass Balance Study

Journal Name: Drug Metabolism Letters

Author(s): Ryan H. Takahashi*, Jae H. Chang, Jodie Pang, Xiaorong Liang, Shuguang Ma.

 

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Mass balance studies conducted using radiolabeled material (14C or 3H) definitively characterize the Absorption, Metabolism, and Excretion (AME) of a drug. A critical aspect of these studies is that the radiotracer maintains its proportion to total drug from its administration to its complete elimination from the body. In the study of GDC-0276 in beagle dogs, we observed that the 14C radiotracer proportion (specific activity) varied through the study.

High resolution-accurate mass spectrometric measurements of 12C and 14C isotopes of GDC- 0276 and its metabolites in plasma and excreta samples were used to determine the apparent specific activities, which were higher than the specific activity of the dosing formulation. Drug concentrations were adjusted to the observed specific activities to correct the readouts for GDC-0276 AME and PK. Read out full article at:  http://www.eurekaselect.com/167902/article

 

Bentham Science Media Partnership | BIO Asia International Conference – 2019

Accelerate your pathway to partnerships in Asia

 

The BIO Asia International Conference is an exclusive partnering forum convening U.S. & European drug development companies with Asian biotech and pharma companies interested in research collaborations and licensing agreements. 

 

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Learn more about #BIOASIA19: http://bit.ly/2TZJ4uH

Editor’s Choice Article | Trends of Clinical Trials for Drug Development in Rare Diseases

Author(s): Ryuichi Sakate, Akiko Fukagawa, Yuri Takagaki, Hanayuki Okura, Akifumi Matsuyama*.

Graphical Abstract:

Abstract:

Background: Drug development for rare diseases is challenging because it is difficult to obtain relevant data from very few patients. It must be informative to grasp current status of clinical trials for drug development in rare diseases.

Objective: Clinical trials in rare diseases are to be outlined and compared among the US, EU and Japan.

Method: ClinicalTrials.gov (NCT, National Clinical Trial), EU Clinical Trials Register (EUCTR) and the Japan Primary Registries Network (JPRN) were analyzed. Clinical trials involving information on rare diseases and drugs were extracted by text-mining, based on the diseases and drugs derived from Orphanet and DrugBank, respectively.

Results: In total, 28,526 clinical trials were extracted, which studied 1,535 rare diseases and 1,539 drugs. NCT had the largest number of trials, involving 1,252 diseases and 1,332 drugs. EUCTR and JPRN also had registry-specific diseases (250 and 22, respectively) and drugs (172 and 29, respectively) that should not be missed. Among the 1,535 rare diseases, most diseases were studied in only a limited number of trials; 70% of diseases were studied in fewer than 10 trials, and 28% were studied in only one. Additionally, most studied rare diseases were cancer-related ones.

Conclusion: This study has revealed the characteristics of the clinical trials in rare diseases among the US, EU and Japan. The number of trials for rare diseases was limited especially for non-cancerrelated ones. This information could contribute to drug development such as drug-repositioning in rare diseases.

 

 

Read out more at: http://www.eurekaselect.com/162697/article

Press Release for EurekAlert! New hopes in cancer battle — a review of new molecules and treatment strategies

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Cancer treatment is still one of the most intractable challenge for medicine. There are several approaches to fight cancer, which include: surgery, radiation therapy, chemotherapy, immunotherapy, targeted therapy and hormone therapy. From all these treatment methods, chemotherapy seems to be the most widely used. Therefore, it is understandable that scientists are trying to discover new molecules which may be applied as effective chemotherapeutics.

The researchers from Jan Dugosz University in Czstochowa and Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences reviewed the most significant achievements in the area of cancer treatment, published in 2014/2015. This review describes newly discovered anticancer molecules interacting with DNA or affecting cancer cell cycles. New cancer treatment strategies, which increase efficiency of chemotherapy or radiotherapy and new chemotherapeutic delivery systems have also been mentioned in the review. Multiplicity of the described compounds proves that cancer battle is still in progress. We constantly learn something new about cancer cells and hopefully we are getting closer to find effective cancer treatment. We know that molecules can interact with cancer DNA by inhibiting its synthesis, transcription or duplication.

Chemotherapeutics are also able to affect tumor cell cycle by suppressing itsproliferation and angiogenesis, and also promoting its apoptosis.

However, developing effective cancer treatment is, still, a demanding task because the number of cancer cell-types known to researchers constantly increases. In spite of all these odds, we hope that along with the development of science, people will win the race with still incurable cancers.

Reference: Turek, M.; (2016). New Hopes in Cancer Battle – A Review of New Molecules and Treatment Strategies Med. Chem., DOI: 10.2174/1573406412666160502153700

 

For more information about the article, please visit: http://benthamscience.com/journals/medicinal-chemistry/article/141662/

 

Article By Disease: Metabolism

‘Repurposed Drugs in Metabolic Disorders’

Author(s): Josef Finsterer and Marlies Frank

Abstract: Drug repurposing (drug repositioning, drug reprofiling, drug retasking) gains increasing importance as the development of new drugs becomes increasingly expensive. Though only a few compounds have been approved for new indications in the field of metabolic disorders, there are a number of substances which have the potential to become reprofiled in a new indication. Generally, reprofiled drugs for metabolic disorders can be classified in three groups. Group A contains those of which both, the original and repurposed indication, concern metabolic disorders. Group B comprises drugs, which were originally approved for non-metabolic disorders but show beneficial effects for metabolic disorders after repurposing..

Download the complete article from here: http://www.eurekaselect.com/node/115624/article


This article is from the journal Current Topics in Medicinal Chemistry

 

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