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Drug discovery

Computational drug discovery for the Zika virus

Computational drug discovery for the Zika virus

... ZIKV drug discovery has been performed in a collaboration with IBM World Community Grid (WCG) and some Universities/ Companies from Brazil and United States of ...the drug discovery for ZIKV, ...

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Contribution to drug discovery and development for tauopathies using yeast as a model

Contribution to drug discovery and development for tauopathies using yeast as a model

... for drug discovery and development, particularly products derived from bacteria, following the failure of automated chemical synthesis in delivering new drugs in the market (Lawrence, 2015) ...the ...

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From Medicinal Chemistry to Human Health: Current Approaches to Drug Discovery for Cancer and Neglected Tropical Diseases

From Medicinal Chemistry to Human Health: Current Approaches to Drug Discovery for Cancer and Neglected Tropical Diseases

... in drug discovery to increasingly incorporate knowledge-based ...structure-based drug design have emerged as key pathways to address the pharmaceutical industry’s striking demands for ...by ...

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ADDME – Avoiding Drug Development Mistakes Early: central nervous system drug discovery perspective

<it>ADDME – Avoiding Drug Development Mistakes Early</it>: central nervous system drug discovery perspective

... of drug discovery chemistry and how this is driven by later-stage considerations of pharmacokinetics, pathophysiology and ...CNS drug discovery, used in taking a screening hit into a lead ...

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Nitroheterocyclic compounds are more efficacious than CYP51 inhibitors against Trypanosoma cruzi: implications for Chagas disease drug discovery and development

Nitroheterocyclic compounds are more efficacious than CYP51 inhibitors against Trypanosoma cruzi: implications for Chagas disease drug discovery and development

... successful drug discovery and development for neglected tropical infectious diseases is ...of drug candidates in clinical trials, thus allowing early termination of com- pounds that do not meet ...

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SWEETLEAD: an in silico database of approved drugs, regulated chemicals, and herbal isolates for computer-aided drug discovery.

SWEETLEAD: an in silico database of approved drugs, regulated chemicals, and herbal isolates for computer-aided drug discovery.

... of drug and chemical names into our structure determination ...of drug and chemical names, 4442 chemical structures were collected, and the classification of all compounds included in the initial release of ...

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Strategies towards expansion of chemical space of natural product‑based compounds to enable drug discovery

Strategies towards expansion of chemical space of natural product‑based compounds to enable drug discovery

... Alternative and elegant synthesis of NP-inspired scaffolds is another area of increasing interest in recent years (Paciaroni et al., 2017; Balthaser et al., 2011; Mcleod et al., 2014), and it applies well-known ...

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Metabolomics and Its Potential in Drug Discovery and Development From TCM

Metabolomics and Its Potential in Drug Discovery and Development From TCM

... Metabolomics, an omic science in systems biology, is the comprehensive profiling of metabolic changes occurring in living systems and has been widely used in the modern research of traditional Chinese medicine (TCM). TCM ...

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Drug discovery for Chagas disease should consider Trypanosoma cruzi strain diversity

Drug discovery for Chagas disease should consider Trypanosoma cruzi strain diversity

... disease drug discovery depend largely on a limited number of academic ...ease drug discovery: the choice of ...disease drug discovery programmes, but we consider it to be a ...

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A new in vivo screening paradigm to accelerate antimalarial drug discovery.

A new in vivo screening paradigm to accelerate antimalarial drug discovery.

... of drug discovery, the evaluation of efficacy seeks to estimate the therapeutic index ...the drug in blood that are efficacious and those that are ...

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The next opportunity in anti-malaria drug discovery: the liver stage.

The next opportunity in anti-malaria drug discovery: the liver stage.

... type. There are several published screens that use varying reporters, but they all exploit the ability of the parasite to be grown in red blood cell culture. The first published high-throughput assay utilized a ...

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Identifying and quantifying heterogeneity in high content analysis: application of heterogeneity indices to drug discovery.

Identifying and quantifying heterogeneity in high content analysis: application of heterogeneity indices to drug discovery.

... The plate-to-plate and the day-to-day variabilities of HCA measurements are usually characterized by the Z’ factor or the strictly standardized mean difference (SSMD) [26–29]. These metrics assume a normal distribution ...

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High throughput screening for anti-Trypanosoma cruzi drug discovery.

High throughput screening for anti-Trypanosoma cruzi drug discovery.

... early drug discovery ...predicted drug-like physicochemical properties between these two HTSs were picked up for further development and the data obtained from them have served as the basis for ...

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Drug discovery and computational strategies in the multitarget drugs era

Drug discovery and computational strategies in the multitarget drugs era

... computer-aided drug design (CADD), in silico methods were developed to facilitate the screening of new compounds with multitarget ...multi-target drug discovery (MTDD) to find drug leads that ...

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Open source drug discovery in practice: a case study.

Open source drug discovery in practice: a case study.

... source drug discovery offers potential for developing new and inexpensive drugs to combat diseases that disproportionally affect the ...Source Drug Discovery project (CSIR OSDD) and The ...

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CURRENT TRENDS IN DRUG DISCOVERY: TARGET IDENTIFICATION TO CLINICAL DEVELOPMENT OF THE DRUG

CURRENT TRENDS IN DRUG DISCOVERY: TARGET IDENTIFICATION TO CLINICAL DEVELOPMENT OF THE DRUG

... the drug discovery process has been revolutionized with the introduction of some newer techniques in molecular biology, biotechnology, genomics, and ...in drug discovery due to its speed, ...

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SYNTHETIC STRATEGIES IN DRUG DISCOVERY: EMPLOYNG DIVERSITY-ORIENTED SYNTHESIS.

SYNTHETIC STRATEGIES IN DRUG DISCOVERY: EMPLOYNG DIVERSITY-ORIENTED SYNTHESIS.

... IN DRUG DISCOVERY: EMPLOYNG DIVERSITY-ORIENTED SYNTHESIS. Drug discovery often involves screening synthetic small molecules for their ability to bind to a macromolecular ...

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Improving the drug discovery process by using multiple classifier systems

Improving the drug discovery process by using multiple classifier systems

... Machine learning methods have become an indispensable tool for utilizing large knowledge and data repositories in science and technology. In the context of the pharmaceutical domain, the amount of acquired knowledge ...

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Easy Bioinformatics Analysis (EBiAn): a package for manipulating and analysis of short biological sequences

Easy Bioinformatics Analysis (EBiAn): a package for manipulating and analysis of short biological sequences

... Plants form the main ingredients of medicines in traditional systems of healing and have been the source of inspiration for several major pharmaceutical drugs. The use of plants as medicines has involved the isolation of ...

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Braz. J. Pharm. Sci.  vol.53 número2

Braz. J. Pharm. Sci. vol.53 número2

... the drug discovery pipeline (Liu et ...alternative drug information through drug repositioning, and predict adverse drug reactions and drug toxicity (Aeri, Kyoungyeul, Dongsup, ...

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