scholarly journals The Effects of Combinatorial Chemistry and Technologies on Drug Discovery and Biotechnology – a Mini Review

2014 ◽  
Vol 13 (2) ◽  
pp. 87-108 ◽  
Author(s):  
Pierfausto Seneci ◽  
Giorgio Fassina ◽  
Vladimir Frecer ◽  
Stanislav Miertus
Keyword(s):  
Drug Discovery ◽  
Drug Design ◽  
Expert Opinion ◽  
High Throughput ◽  
Combinatorial Chemistry ◽  
Rational Design ◽  
Combinatorial Libraries ◽  
Computer Assisted ◽  
Future Trends ◽  
The Impact

Abstract The review will focus on the aspects of combinatorial chemistry and technologies that are more relevant in the modern pharmaceutical process. An historical, critical introduction is followed by three chapters, dealing with the use of combinatorial chemistry/high throughput synthesis in medicinal chemistry; the rational design of combinatorial libraries using computer-assisted combinatorial drug design; and the use of combinatorial technologies in biotechnology. The impact of “combinatorial thinking” in drug discovery in general, and in the examples reported in details, is critically discussed. Finally, an expert opinion on current and future trends in combinatorial chemistry and combinatorial technologies is provided.

scholarly journals Fast tracking drug development: balancing risks and rewards

2002 ◽  
Vol 23 (5) ◽  
pp. 20
Author(s):  
Harry Majewski
Keyword(s):  
Drug Design ◽  
Drug Development ◽  
High Throughput ◽  
Combinatorial Chemistry ◽  
High Throughput Screening ◽  
Target Discovery ◽  
New Therapies ◽  
Fast Tracking ◽  
Great Hope

The biotechnology revolution offers great hope for new therapies based on rational approaches to target discovery and drug design based on genomics, proteomics, advanced chemistry (3-D modelling, combinatorial chemistry) and high throughput screening.

Drug Discovery

2019 ◽  
pp. 1-46
Author(s):  
S. Lakshmana Prabu
Keyword(s):  
Drug Discovery ◽  
High Throughput ◽  
Combinatorial Chemistry ◽  
High Throughput Screening ◽  
Development Stage ◽  
Synthetic Chemistry ◽  
Success Rates ◽  
Herbal Plants ◽  
Pharmaceutical Industries ◽  
The 1960S

Modern chemistry foundations were made in between the 18th and 19th centuries and have been extended in 20th century. R&D towards synthetic chemistry was introduced during the 1960s. Development of new molecular drugs from the herbal plants to synthetic chemistry is the fundamental scientific improvement. About 10-14 years are needed to develop a new molecule with an average cost of more than $800 million. Pharmaceutical industries spend the highest percentage of revenues, but the achievement of desired molecular entities into the market is not increasing proportionately. As a result, an approximate of 0.01% of new molecular entities are approved by the FDA. The highest failure rate is due to inadequate efficacy exhibited in Phase II of the drug discovery and development stage. Innovative technologies such as combinatorial chemistry, DNA sequencing, high-throughput screening, bioinformatics, computational drug design, and computer modeling are now utilized in the drug discovery. These technologies can accelerate the success rates in introducing new molecular entities into the market.

The maturation of DNA encoded libraries: opportunities for new users

2020 ◽  
Author(s):  
Daniel Conole ◽  
James H Hunter ◽  
Michael J Waring
Keyword(s):  
Data Analysis ◽  
Cost Effectiveness ◽  
Drug Discovery ◽  
High Throughput ◽  
High Throughput Screening ◽  
New Technology ◽  
Combinatorial Libraries ◽  
Library Design ◽  
First Time ◽  
Screening Technology

DNA-encoded combinatorial libraries (DECLs) represent an exciting new technology for high-throughput screening, significantly increasing its capacity and cost–effectiveness. Historically, DECLs have been the domain of specialized academic groups and industry; however, there has recently been a shift toward more drug discovery academic centers and institutes adopting this technology. Key to this development has been the simplification, characterization and standardization of various DECL subprotocols, such as library design, affinity screening and data analysis of hits. This review examines the feasibility of implementing DECL screening technology as a first-time user, particularly in academia, exploring the some important considerations for this, and outlines some applications of the technology that academia could contribute to the field.

scholarly journals Data-Driven Molecular Dynamics: A Multifaceted Challenge

2020 ◽  
Vol 13 (9) ◽  
pp. 253
Author(s):  
Mattia Bernetti ◽  
Martina Bertazzo ◽  
Matteo Masetti
Keyword(s):  
Molecular Dynamics ◽  
Big Data ◽  
Drug Discovery ◽  
Drug Design ◽  
Md Simulations ◽  
Biomolecular Systems ◽  
Biomolecular Simulations ◽  
The Impact ◽  
Opening Up ◽  
Computational Drug Discovery

The big data concept is currently revolutionizing several fields of science including drug discovery and development. While opening up new perspectives for better drug design and related strategies, big data analysis strongly challenges our current ability to manage and exploit an extraordinarily large and possibly diverse amount of information. The recent renewal of machine learning (ML)-based algorithms is key in providing the proper framework for addressing this issue. In this respect, the impact on the exploitation of molecular dynamics (MD) simulations, which have recently reached mainstream status in computational drug discovery, can be remarkable. Here, we review the recent progress in the use of ML methods coupled to biomolecular simulations with potentially relevant implications for drug design. Specifically, we show how different ML-based strategies can be applied to the outcome of MD simulations for gaining knowledge and enhancing sampling. Finally, we discuss how intrinsic limitations of MD in accurately modeling biomolecular systems can be alleviated by including information coming from experimental data.

scholarly journals Combinatorial chemistry. Facing the challenge of chemical genomics

2001 ◽  
Vol 73 (9) ◽  
pp. 1487-1498 ◽  
Author(s):  
Ferenc Darvas ◽  
Gyorgy Dorman ◽  
Laszlo Urge ◽  
Istvan Szabo ◽  
Zsolt Ronai ◽  
...  
Keyword(s):  
Drug Discovery ◽  
Combinatorial Chemistry ◽  
High Throughput Screening ◽  
Early Stage ◽  
Combinatorial Libraries ◽  
Specific Marker ◽  
Chemical Genomics ◽  
High Quality ◽  
Sequential Approach ◽  
Gene Map

In the age of high-throughput screening and combinatorial chemistry, the focus of drug discovery is to replace the sequential approach with the most effective parallel approach. By the completion of the human gene-map, understanding and healing a disease require the integration of genomics, proteomics, and, very recently, metabolomics with early utilization of diverse small-molecule libraries to create a more powerful "total" drug discovery approach.In this post-genomic era, there is an enhanced demand for information-enriched combinatorial libraries which are high-quality, chemically and physiologically stable, diverse, and supported by measured and predicted data. Furthermore, specific marker libraries could be used for early functional profiling of the genome, proteome, and metabolome. In this new operating model, called "combinatorial chemical genomics", an optimal combination of the marker and high-quality libraries provides a novel synergy for the drug discovery process at a very early stage.

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