Drug discovery—an operating model for a new era

Myers, Scott M.; Baker, Ann C.

doi:10.1038/90765

Cited by 92 publications

(40 citation statements)

References 1 publication

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“…The new parallel discovery model [2,3] requires rapid technological advancement: miniaturization and nanotechnology, which can produce millions of compounds per week that can be immobilized as small-molecule arrays on glass [14], or gold surface and surface plasmon resonance is used for detecting the binding.…”

Section: Discussionmentioning

confidence: 99%

“…In the new, parallel operating model [3], ligand-driven target validation is simultaneous to lead optimization, which is carried out with a series of focused libraries.…”

Section: Introduction: New Challenges In the Post-genomic Drug Discoverymentioning

confidence: 99%

“…Those proteins can be quickly identified primarily by novel combinatorial libraries (indicated as drug candidates) in biological media such as originating from diseased tissues or samples. Figure 1 presents a new parallel discovery model [2,3] where combinatorial libraries are linked to target identification by joint application of marker (reporter) and quality libraries that simultaneously provide hit compounds. In further steps, the selective ligand-binding interaction validates the target, and inversely the binding to the target confirms the biological activity of the ligand.…”

Section: Introduction: New Challenges In the Post-genomic Drug Discoverymentioning

confidence: 99%

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Combinatorial chemistry. Facing the challenge of chemical genomics

Darvas¹,

Dormán²,

Ürge³

et al. 2001

Pure and Applied Chemistry

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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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Section: Discussionmentioning

confidence: 99%

“…In the new, parallel operating model [3], ligand-driven target validation is simultaneous to lead optimization, which is carried out with a series of focused libraries.…”

Section: Introduction: New Challenges In the Post-genomic Drug Discoverymentioning

confidence: 99%

Section: Introduction: New Challenges In the Post-genomic Drug Discoverymentioning

confidence: 99%

See 1 more Smart Citation

Combinatorial chemistry. Facing the challenge of chemical genomics

Darvas¹,

Dormán²,

Ürge³

et al. 2001

Pure and Applied Chemistry

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show abstract

“…SuperTarget provides tools for 2D drug screening and sequence comparison of the targets essentially functional replicas of drugs that already exist. Most of the copycat drugs are being commercialized to handle the illness for which there are drugs already; thus, there is a need of interface that can attract the attention of both physicians and patients who already have access to similar medication (Meyers and Baker 2001). Bioinformatics can act as proper interface, and provides new approaches and opportunities to pharmaceutical companies to efficiently discover potential drug targets and develop novel drugs (Whittaker 2003).…”

Section: Promote Novel/new Drug Developmentmentioning

confidence: 99%

Role of bioinformatics and pharmacogenomics in drug discovery and development process

Katara

2013

Netw Model Anal Health Inform Bioinforma

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Drug discovery and development is a complex, high risk, time consuming and potentially highly rewarding process. Pharmaceutical companies literally burn millions of dollar per drug to bring it to the market. The development of a new drug requires a technological expertise, human resources and huge capital investment. It also requires strict adherence to regulations on testing and manufacturing standards before a new drug comes into market and can be used in the general population, in fact, some time it fails to come into market. All these factors just increase the cost for a new chemical entity research and development. Two branches which made positive impact on drug designing process and reduce the overall cost and risk are Bioinformatics and Pharmacogenomics. Their practice in drug designing process made positive effect on overall process and they can accelerate various steps of drug designing, and reduce the cost and over all time. Current note focusses on the role of bioinformatics and pharmacogenomics in drug discovery and development process.

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“…[5] Introduction of new drugs and novel therapeutic solutions is a long and costly process (Myers and Baker 2001;DiMasi et al, 2003). [6,13] In this direction to recover or overcome from chronic diseases the drug discovery was a tiresome task in past, as lot of practical experiments were based on many chemical reactions, various methodology like laboratory work, directly usage of herbs as a medicines etc. Also, these are time consuming and need dedicated manpower's for a single discovery of drug in spite of that outcome was very less.…”

Section: Introductionmentioning

confidence: 99%

Identification of Cost Effective Drug Through in-Silico Approach of Catharanthus Roseus Plant Ligand-Receptor Docking for Type 2 Diabetes Niddm.

Tolambiya¹

2017

WJPPS

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Objective:-Diabetes type2 is common disease found in every agesegment of human beings. This study was proposed to design cost effective drug through herbal medicinal plant Catharanthus roseus and its parts, directly or indirectly being used for diabetes treatment.Methodology:-GCMS is conducted on alcoholic stem extraction to identify the different alkaloids substances. The chemical structure of these alkaloids was identified through pubchem database. PTB1B is a novel target for type 2 diabetes and its 3D structure designed by target sequence. The blast of target sequence was performed with PDB to get template 1NL9 which is 100% identical with target sequence. As a result, 1NL9 resolution is found at least 2.0 Angstroms and its R-factor is not greater than 20.0, hence this structure is considered as a model or a receptor. Docking of these chemical structure of alkaloids against protein-tyrosine phosphatase1B(PTP1B)is done through Auto dock 4.2 software. The present study involves computation of 21 compound to identify the least energy molecules. These molecules follows the Lipinski's rule and assist the drug development avoiding expensive post clinical experiments. This process provides the actual active compound for drug discovery. Conclusion:-It is anticipated that 3-Nitrophthalic Acid has least energy molecule and it fulfills the Lipinski rules of five, hence it could inhibit the PTP1B and improve insulin action for recovery of Type-2 Diabetes. Such studies reduce the time and costs involved in drug discovery process and have no adverse effects on the environment.

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Drug discovery—an operating model for a new era

Cited by 92 publications

References 1 publication

Combinatorial chemistry. Facing the challenge of chemical genomics

Combinatorial chemistry. Facing the challenge of chemical genomics

Role of bioinformatics and pharmacogenomics in drug discovery and development process

Identification of Cost Effective Drug Through in-Silico Approach of Catharanthus Roseus Plant Ligand-Receptor Docking for Type 2 Diabetes Niddm.

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