High-Throughput Screening

Wildey, Mary Jo; Haunsø, Anders; Tudor, Matthew; Webb, Maria L.; Connick, J.H.

doi:10.1016/bs.armc.2017.08.004

Cited by 48 publications

(35 citation statements)

References 38 publications

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“…High‐throughput, target‐based screening has become a staple of the drug discovery process . The introduction of robotic systems for sample preparation and plate handling enables bioassays to be run in a fully automated fashion, which allows assessment of the functional activity of small molecule compound libraries at scales in the order of millions of compounds . Optical detection formats such as absorbance, fluorescence and luminescence are well‐suited to high‐throughput screening (HTS) due to the rapid nature of the measurement (ca.…”

Section: Figurementioning

confidence: 99%

High‐Throughput Bioassays using “Dip‐and‐Go” Multiplexed Electrospray Mass Spectrometry

et al. 2019

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A multiplexed system based on inductive nanoelectrospray mass spectrometry (nESI‐MS) has been developed for high‐throughput screening (HTS) bioassays. This system combines inductive nESI and field amplification micro‐electrophoresis to achieve a “dip‐and‐go” sample loading and purification strategy that enables nESI‐MS based HTS assays in 96‐well microtiter plates. The combination of inductive nESI and micro‐electrophoresis makes it possible to perform efficient in situ separations and clean‐up of biological samples. The sensitivity of the system is such that quantitative analysis of peptides from 1–10 000 nm can be performed in a biological matrix. A prototype of the automation system has been developed to handle 12 samples (one row of a microtiter plate) at a time. The sample loading and electrophoretic clean‐up of biosamples can be done in parallel within 20 s followed by MS analysis at a rate of 1.3 to 3.5 s per sample. The system was used successfully for the quantitative analysis of BACE1‐catalyzed peptide hydrolysis, a prototypical HTS assay of relevance to drug discovery. IC50 values for this system were in agreement with LC‐MS but recorded in times more than an order of magnitude shorter.

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Section: Figurementioning

confidence: 99%

High‐Throughput Bioassays using “Dip‐and‐Go” Multiplexed Electrospray Mass Spectrometry

et al. 2019

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“…The main objective of drug discovery is to identify a molecule with desired biological properties [1]. Primarily, high throughput screening (HTS) techniques which allow large size of chemical library testing [2,3]. However, HTS is expensive and with low hit rates, only limited to large pharmaceutical companies.…”

Section: Introductionmentioning

confidence: 99%

DenovoProfiling: a webserver for de novo generated molecule library profiling

Liu

Du²,

Liu

et al. 2021

Preprint

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With the advances of deep learning techniques, various architectures for molecular generation have been proposed for de novo drug design. Successful cases from academia and industrial demonstrated that the deep learning based de novo molecular design could efficiently accelerate the drug discovery process. The flourish of the de novo molecular generation methods and applications created great demand for the visualization and functional profiling for the de novo generated molecules. The rising of publicly available chemogenomic databases lays good foundations and create good opportunities for comprehensive profiling of the de novo library. In this paper, we present DenovoProfiling, a web server dedicated for de novo library visualization and functional profiling. Currently, DenovoProfiling contains six modules: (1) identification & visualization, (2) chemical space, (3) scaffold analysis, (4) molecular alignment, (5) target & pathways, and (6) drugs mapping. DenovoProfiling could provide structural identification, chemical space exploration, drugs mapping, and targets & pathways. The comprehensive annotated information could give user a clear picture of their de novo library and could provide guidance in the further selection of candidates for synthesis and biological confirmation. DenovoProfiling is freely available at http://denovoprofiling.xielab.net.

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“…The aim is to provide a faster and lower-cost method of combinatorial drug screening. Operating costs are reduced by removing the reliance on pipettes and well plates and using smaller assay/reagent samples and removing the need for complex robotic set-ups required for current drug screening technologies [ 23 ]. Dispensing time is reduced due to the instruments enhanced mixing and encapsulation.…”

Section: Introductionmentioning

confidence: 99%

A Flexible, Microfluidic, Dispensing System for Screening Drug Combinations

2020

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It is known that in many cases a combination of drugs is more effective than single-drug treatments both for reducing toxicity and increasing efficacy. With the advent of organoid screens, personalised medicine has become possible for many diseases. Automated pipetting to well plates is the pharmaceutical industry standard for drug screening, but this is relatively expensive and slow. Here, a rotary microfluidic system is presented that can test all possible drug combinations at speed with the use of droplets. For large numbers of combinations, it is shown how the experimental scale is reduced by considering drug dilutions and machine learning. As an example, two cases are considered; the first is a three-ring and three radii configuration and the second is a four ring and forty-eight radii configuration. Between these two, all other cases are shown to be possible. The proposed commercial instrument is shown to be flexible, the user choosing which wells to fill and which driver-computational sub-routine to select. The major issues addressed here are the programming theory of the instrument and the reduction of droplets to be generated by drug dilutions and machine learning.

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High-Throughput Screening

Cited by 48 publications

References 38 publications

High‐Throughput Bioassays using “Dip‐and‐Go” Multiplexed Electrospray Mass Spectrometry

High‐Throughput Bioassays using “Dip‐and‐Go” Multiplexed Electrospray Mass Spectrometry

DenovoProfiling: a webserver for de novo generated molecule library profiling

A Flexible, Microfluidic, Dispensing System for Screening Drug Combinations

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