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Total 120832 results found since Jan 2013.

Chemical Structure Similarity Search for Ligand-Based Virtual Screening: Methods and Computational Resources.
Abstract For many years the assumption that "Chemical compounds with similar structures may have similar activities" has been a foundation for lead identification. The similarity can be computed based upon topological, steric, electronic, and/or physical properties. The chemical structure similarity search differs from the chemical substructure search in that the former requires assessment of the properties of each compound and thus no filter can be applied for skipping structures before they are assessed to accelerate the computation. The latter can be accelerated by pre-screening compounds and omitting those tha...
Source: Current Drug Targets - November 1, 2015 Category: Drugs & Pharmacology Authors: Yan X, Liao C, Liu Z, Hagler AT, Gu Q, Xu J Tags: Curr Drug Targets Source Type: research

Validity and Reliability of a Systematic Database Search Strategy to Identify Publications Resulting From Pharmacy Residency Research Projects
Conclusion: This systematic search strategy demonstrated a high sensitivity, specificity, and accuracy for identifying publications resulting from pharmacy residency projects using information available in residency conference abstracts.
Source: Journal of Pharmacy Practice - July 11, 2016 Category: Drugs & Pharmacology Authors: Kwak, N., Swan, J. T., Thompson-Moore, N., Liebl, M. G. Tags: Pharmacy Education Source Type: research

Comparative analysis of web search trends between experts and public for medicinal herbs in Korea
Conclusion This study presents meaningful results concerning the similarities and differences in interest between experts and public for popular medicinal herbs in Korea. Contrary to the common assumption that there exists big different interest between experts and public, this study revealed that there is apparent similar interest between experts and public on popular medicinal herbs in Korea. Graphical abstract
Source: Journal of Ethnopharmacology - November 28, 2015 Category: Drugs & Pharmacology Source Type: research

Search strategies and evaluation of protein-protein docking: principles, advances and challenges.
Abstract Protein-protein docking is attracting increasing attention in drug discovery research targeting protein-protein interactions, owing to its potential in predicting protein-protein interactions and 'hot spot' residues at the protein-protein interface. Given the relative lack of information about binding sites and the fact that proteins are generally larger than ligand, the search algorithms and evaluation methods for protein-protein docking differ somewhat from those for protein-ligand docking and, hence, require different research strategies. Here, I review the basic concepts, principles and advances of cu...
Source: Drug Discovery Today - March 1, 2014 Category: Drugs & Pharmacology Authors: Huang SY Tags: Drug Discov Today Source Type: research

Use of internet search logs to evaluate potential drug adverse events.
Abstract Internet search logs provide an abundant source of data that can be explored for purposes such as identifying drug exposure-adverse event relationships. The methodology to rigorously conduct such evaluations is not well characterized, and the utility of such analyses is not well defined. In this issue, White and colleagues propose an approach using Internet search logs for this purpose and compare it to parallel analyses conducted using the US Food and Drug Administration's spontaneous reporting database. PMID: 25056395 [PubMed - in process]
Source: Clinical Pharmacology and Therapeutics - July 28, 2014 Category: Drugs & Pharmacology Authors: Sarntivijai S, Abernethy DR Tags: Clin Pharmacol Ther Source Type: research

Drugs as Possible Triggers of Takotsubo Cardiomyopathy: a Comprehensive Literature Search - Update 2015.
CONCLUSION: There are new case reports that linked drug-use with the development of TCM. The list of 57 drugs obtained is principally integrated by drugs that generate sympathetic overstimulation. Consequently, the recommendation "drug-induced TCM would be considered in patients with TCM, particularly those in which no clear emotional or stress trigger could be identified" is endorsed. PMID: 27049039 [PubMed - as supplied by publisher]
Source: Current Clinical Pharmacology - April 3, 2016 Category: Drugs & Pharmacology Authors: Amariles P, Cifuentes L Tags: Curr Clin Pharmacol Source Type: research

The search for inhibitors of macrodomains for targeting the readers and erasers of mono-ADP-ribosylation
Drug Discov Today. 2021 May 20:S1359-6446(21)00239-7. doi: 10.1016/j.drudis.2021.05.007. Online ahead of print.ABSTRACTMacrodomains are evolutionarily conserved structural elements. Many macrodomains feature as binding modules of ADP-ribose, thus participating in the recognition and removal of mono- and poly-ADP-ribosylation. Macrodomains are involved in the regulation of a variety of physiological processes and represent valuable therapeutic targets. Moreover, as part of the nonstructural proteins of certain viruses, macrodomains are also pivotal for viral replication and pathogenesis. Thus, targeting viral macrodomains w...
Source: Drug Discovery Today - May 23, 2021 Category: Drugs & Pharmacology Authors: Wei Fu Huiqiao Yao Mareike B ütepage Qianqian Zhao Bernhard L üscher Jinyu Li Source Type: research

In the search for appropriateness in the cure of vaginitis: a model of anti-fungal stewardship?
Eur Rev Med Pharmacol Sci. 2022 Oct;26(20):7713-7718. doi: 10.26355/eurrev_202210_30048.ABSTRACTAntimicrobial resistance remains a worldwide issue with a major clinical and economic impact, leading to exceeding mortality, increased frequency of hospitalization and a great burden on the healthcare systems. Vulvovaginitis, especially when due to mixed infections, has emerged as a condition for which appropriate selection of antimicrobial therapy and proper antimicrobial stewardship programs (ASPs) may contribute to minimizing the resistance development. This review discusses the appropriateness of selecting treatment for vul...
Source: Pharmacological Reviews - October 31, 2022 Category: Drugs & Pharmacology Authors: F Tumietto E Sora S Tedeschi Source Type: research

Docking-based generative approaches in the search for new drug candidates
Drug Discov Today. 2022 Nov 10:103439. doi: 10.1016/j.drudis.2022.103439. Online ahead of print.ABSTRACTDespite the popularity of virtual screening (VS) of existing compound libraries, the search for new potential drug candidates also takes advantages of generative protocols, where new compound suggestions are enumerated using various algorithms. To increase the activity potency of generative approaches, they have recently been coupled with molecular docking, a leading methodology of structure-based drug design (SBDD). In this review, we summarize progress since docking-based generative models emerged. We propose a new tax...
Source: Drug Discovery Today - November 13, 2022 Category: Drugs & Pharmacology Authors: Tomasz Danel Jan Łęski Sabina Podlewska Igor T Podolak Source Type: research

A search for interaction among combinations of drugs of abuse and the use of isobolographic analysis
ConclusionBecause the method of isoboles is the most common quantitative method for distinguishing between drug synergism and simple additivity, the small number of investigations that actually employed this quantification suggests that the term synergism is not properly documented in describing the toxicity among abused substances. The possible reasons for this lack of quantification may be related to a misunderstanding of the modelling equations. To help rectify this possible hurdle to understanding and clinical utility, the theory and modelling are discussed here.
Source: Journal of Clinical Pharmacy and Therapeutics - April 3, 2013 Category: Drugs & Pharmacology Authors: R. J. Tallarida, U. Midic, N. S. Lamarre, Z. Obradovic Tags: Commentary Source Type: research

Systemic review on drug related hospital admissions – A pubmed based search
Conclusion Most of DRP studies were retrospective, multicenter studies conducted in general populations in Europe. The main objective of the studies was to estimate DRP frequency, incidence, risk factors and trends of DRP hospital admissions. Anti-neoplastic agents, CVS drugs and CNS drugs were related to most of the drug related problems. These studies concluded polypharmacy and older age were the major risk factors for developing drug related problems. It was found that the cost for the management of DRP was directly proportional to severity.
Source: Saudi Pharmaceutical Journal - January 24, 2015 Category: Drugs & Pharmacology Source Type: research

Search for Structurally Unique Bioactive Natural Products.
Abstract   In our continuing search for structurally and biologically interesting metabolites from marine organisms and plants, we investigated the constituents of Okinawan marine sponges and Hypericum plants, resulting in the isolation of several new and unique natural products. Their structures were elucidated on the basis of spectroscopic analyses and chemical conversions. Novel bromopyrrole alkaloids, nagelamides X-Z, were isolated from a sponge Agelas sp. Heteroaromatic alkaloids, hyrtimomines A and B, were isolated from a sponge Hyrtios sp. together with bisindole alkaloids, hyrtimomines C-E. An oxylipin w...
Source: Yakugaku Zasshi : Journal of the Pharmaceutical Society of Japan - October 4, 2015 Category: Drugs & Pharmacology Authors: Tanaka N Tags: Yakugaku Zasshi Source Type: research