[HTML][HTML] Automating drug discovery

G Schneider - Nature reviews drug discovery, 2018 - nature.com
Small-molecule drug discovery can be viewed as a challenging multidimensional problem in
which various characteristics of compounds—including efficacy, pharmacokinetics and …

High throughput reaction screening using desorption electrospray ionization mass spectrometry

M Wleklinski, BP Loren, CR Ferreira, Z Jaman… - Chemical …, 2018 - pubs.rsc.org
We report the high throughput analysis of reaction mixture arrays using methods and data
handling routines that were originally developed for biological tissue imaging. Desorption …

“On‐droplet” chemistry: the cycloaddition of diethyl azodicarboxylate and quadricyclane

RM Bain, S Sathyamoorthi, RN Zare - Angewandte Chemie, 2017 - Wiley Online Library
Sharpless and co‐workers previously studied the [2σ+ 2σ+ 2π] cycloaddition of diethyl
azodicarboxylate (DEAD) and quadricyclane and reported that the addition of water to the …

Rapid on-demand synthesis of lomustine under continuous flow conditions

Z Jaman, TJP Sobreira, A Mufti… - … Process Research & …, 2019 - ACS Publications
Lomustine, an important agent for treatment of brain tumors and Hodgkin's lymphoma, has
been synthesized using continuous flow methodology. Desorption electrospray ionization …

High throughput experimentation using DESI-MS to guide continuous-flow synthesis

BP Loren, HS Ewan, L Avramova, CR Ferreira… - Scientific reports, 2019 - nature.com
We demonstrate the use of accelerated reactions with desorption electrospray ionization
mass spectrometry (DESI-MS) as a tool for predicting the outcome of microfluidic reactions …

Screening of the Suzuki cross-coupling reaction using desorption electrospray ionization in high-throughput and in Leidenfrost droplet experiments

PW Fedick, K Iyer, Z Wei, L Avramova… - Journal of The …, 2019 - ACS Publications
Suzuki cross-coupling is a widely performed reaction, typically using metal catalysts under
heated conditions. Acceleration of the Suzuki cross-coupling reaction has been previously …

High-throughput experimentation and continuous flow evaluation of nucleophilic aromatic substitution reactions

Z Jaman, DL Logsdon, B Szilágyi… - ACS Combinatorial …, 2020 - ACS Publications
Nucleophilic aromatic substitution (SNAr) reactions were optimized using high-throughput
experimentation techniques for execution under flow conditions. A total of 3072 unique …

High Throughput Experimentation and Continuous Flow Validation of Suzuki–Miyaura Cross‐Coupling Reactions

Z Jaman, A Mufti, S Sah, L Avramova… - … A European Journal, 2018 - Wiley Online Library
Traditional methods to discover optimal reaction conditions for small molecule synthesis is a
time‐consuming effort that requires large quantities of material and a significant expenditure …

Aldol reactions of biorenewable triacetic acid lactone precursor evaluated using desorption electrospray ionization mass spectrometry high-throughput …

HS Ewan, SA Biyani, J DiDomenico… - ACS Combinatorial …, 2020 - ACS Publications
Desorption electrospray ionization-mass spectrometry (DESI-MS) was used as a high-
throughput experimentation (HTE) tool to rapidly identify derivatives of the biobased platform …

Accelerated multi-reagent copper catalysed coupling reactions in micro droplets and thin films

K Iyer, J Yi, A Bogdan, N Talaty, SW Djuric… - Reaction Chemistry & …, 2018 - pubs.rsc.org
Electrospray (ES) and paper spray (PS) mass spectrometry were used to create confined
liquid volumes in which accelerated air and water sensitive, heterogeneous, copper …