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Autonomic & Autacoid Pharmacology Dec 2015
Topics: Autacoids; Humans; Pharmacology
PubMed: 27329171
DOI: 10.1111/aap.12039 -
Computational Biology and Chemistry Oct 2018In the drug development process, large numbers of molecules are failing at a later stage due to safety ö efficacy concerns which are generally investigated by... (Review)
Review
In the drug development process, large numbers of molecules are failing at a later stage due to safety ö efficacy concerns which are generally investigated by conducting various experiments on animals but unfortunately, animal experimentation is associated with lots of limitations. Thus, there is an increasing interest in the development of alternative approaches that requires less number of animals. Docking is an alternative approach for screening of compounds before actually testing it on animals. It is the best option to predict the energetically favourable binding conformations of ligands in the active site cavity of particular receptor and has gained popularity in the scientific community to save time and money involved in the drug development process. The use of such techniques is increasing day by day among researchers due to availability of user friendly software's. Due to this, the number of papers related to docking has dramatically increased over the past decades. A variety of docking software's are currently available to predict the ligand binding pose in its particular receptor, but there is a lack of knowledge and confidence among scientists regarding accuracy of these softwares. There are many concerns to be taken care of, while carrying out any docking study such as selection of correct binding sites of the target protein, the selection of correct docking pose, lack of clarity over whether the compound is an antagonist or agonist, difficult to get best matching algorithms and scoring schemes. Many compounds show high dock score, but unfortunately fail in pre-clinical studies. These issues ought a chance to because for caution and concern before carrying out docking. Therefore, to ensure correct and effective application of docking techniques, it is necessary to understand the method's merits, demerits, the scope of application, and interpretation. In this review, we summarize fundamental concepts, why these techniques are needed, various docking methods and recent developments in this area. Further, current challenges and future perspectives of these tools are also discussed.
Topics: Algorithms; Binding Sites; Drug Discovery; Ligands; Molecular Docking Simulation; Pharmacology; Protein Conformation; Proteins; Software
PubMed: 30067954
DOI: 10.1016/j.compbiolchem.2018.06.005 -
Pharmacological Research Nov 2015Pharmacology in Chile has about 75 years of history and from its beginning until today has grown exponentially. Today, pharmacology is taught in the biomedical careers...
Pharmacology in Chile has about 75 years of history and from its beginning until today has grown exponentially. Today, pharmacology is taught in the biomedical careers of the main Chilean universities and research centers in pharmacology are in the north, central and south of Chile. This editorial offers an overview of the main milestones that have led to the consolidation of Chilean pharmacology in Latin America and the world.
Topics: Chile; History, 20th Century; History, 21st Century; Humans; Pharmacology; Societies, Scientific
PubMed: 26190142
DOI: 10.1016/j.phrs.2015.07.007 -
Clinical Pharmacology and Therapeutics Feb 2016Biomarkers have the potential to expedite drug development, increase patient safety, and optimize clinical response. Yet few have achieved regulatory qualification. A... (Review)
Review
Biomarkers have the potential to expedite drug development, increase patient safety, and optimize clinical response. Yet few have achieved regulatory qualification. A survey was conducted to clarify industry's perspective on biomarker qualification and identify the most promising biomarkers for drug development. The results across toxicities/clinical areas highlight challenges in regulatory qualification, although early prioritization and alignment on an evidentiary standard framework are key factors in facilitating biomarker development and qualification.
Topics: Biomarkers; Biomarkers, Pharmacological; Drug Industry; Health Care Sector; Humans; Patient Safety; Pharmaceutical Preparations; Pharmacology; Surveys and Questionnaires; United States; United States Food and Drug Administration
PubMed: 26378777
DOI: 10.1002/cpt.264 -
Current Topics in Behavioral... 2018As investigators, we use many methodologies to answer both practical and theoretical questions in our field. Occasionally, we must stop and collect the latest findings... (Review)
Review
As investigators, we use many methodologies to answer both practical and theoretical questions in our field. Occasionally, we must stop and collect the latest findings or trends and then look forward to where our ideas, findings, and hypotheses may take us. Similar to volumes that were published in previous years on drug discrimination (Glennon and Young, Drug discrimination applications to medicinal chemistry and drug studies. Wiley, Hoboken, 2011; Ho et al., Drug discrimination and state dependent learning. Academic Press, New York, 1978), this collection in Current Topics in Behavioral Neurosciences serves as a current analysis of the continued value of the drug discrimination procedure to the fields of pharmacology, neuroscience, and psychology and as a stepping stone to where drug discrimination methodology can be applied next, in both a practical and theoretical sense. This final chapter represents one investigator's perspective on the utility and possibilities for a methodology that she fell in love with over 30 years ago.
Topics: Animals; Discrimination, Psychological; Humans; Pharmacology; Receptors, Drug
PubMed: 29959754
DOI: 10.1007/7854_2018_59 -
Pharmacology, Biochemistry, and Behavior Jun 2024
Topics: Biochemistry; Pharmacology; Anniversaries and Special Events; Periodicals as Topic; History, 20th Century; Humans; History, 21st Century; Behavior
PubMed: 38522496
DOI: 10.1016/j.pbb.2024.173753 -
Journal of Pharmacokinetics and... Feb 2018
Topics: Markov Chains; Models, Biological; Pharmacology
PubMed: 29299711
DOI: 10.1007/s10928-017-9566-5 -
The Journal of Pharmacology and... Jan 2020The American Society for Pharmacology and Experimental Therapeutics has revised the Instructions to Authors for , , and These revisions relate to data analysis...
The American Society for Pharmacology and Experimental Therapeutics has revised the Instructions to Authors for , , and These revisions relate to data analysis (including statistical analysis) and reporting but do not tell investigators how to design and perform their experiments. Their overall focus is on greater granularity in the description of what has been done and found. Key recommendations include the need to differentiate between preplanned, hypothesis-testing, and exploratory experiments or studies; explanations of whether key elements of study design, such as sample size and choice of specific statistical tests, had been specified before any data were obtained or adapted thereafter; and explanation of whether any outliers (data points or entire experiments) were eliminated and when the rules for doing so had been defined. Variability should be described by S.D. or interquartile range, and precision should be described by confidence intervals; S.E. should not be used. values should be used sparingly; in most cases, reporting differences or ratios (effect sizes) with their confidence intervals will be preferred. Depiction of data in figures should provide as much granularity as possible, e.g., by replacing bar graphs with scatter plots wherever feasible and violin or box-and-whisker plots when not. This editorial explains the revisions and the underlying scientific rationale. We believe that these revised guidelines will lead to a less biased and more transparent reporting of research findings.
Topics: Biomedical Research; Biostatistics; Editorial Policies; Peer Review, Research; Periodicals as Topic; Pharmacology; Practice Guidelines as Topic; Research Design; Societies, Scientific
PubMed: 31884418
DOI: 10.1124/jpet.119.264143 -
Pharmacology, Biochemistry, and Behavior Apr 2024
Topics: Biochemistry; Pharmacology
PubMed: 38401572
DOI: 10.1016/j.pbb.2024.173739 -
Clinical Pharmacology and Therapeutics Jun 2021The treatment of many medical conditions requires the use of multiple drugs. A study published recently in this journal nicely illustrates the need to consider the...
The treatment of many medical conditions requires the use of multiple drugs. A study published recently in this journal nicely illustrates the need to consider the pharmacology of potentially interacting drugs when conducting pharmacoepidemiologic studies of patient safety outcomes associated with such interactions. By examining multiple streams of data, we can piece together the risks and the mechanisms of action underlying those risks, and provide useful information for clinicians and patients to use multiple pharmacotherapies safely.
Topics: Drug Interactions; Drug Therapy, Combination; Drug-Related Side Effects and Adverse Reactions; Humans; Patient Safety; Pharmacoepidemiology; Pharmacology; Product Surveillance, Postmarketing; Risk Assessment
PubMed: 32827442
DOI: 10.1002/cpt.2006