Computational approaches streamlining drug discovery
AV Sadybekov, V Katritch - Nature, 2023 - nature.com
Computer-aided drug discovery has been around for decades, although the past few years
have seen a tectonic shift towards embracing computational technologies in both academia …
have seen a tectonic shift towards embracing computational technologies in both academia …
Late-stage functionalization for improving drug-like molecular properties
NJ Castellino, AP Montgomery, JJ Danon… - Chemical …, 2023 - ACS Publications
The development of late-stage functionalization (LSF) methodologies, particularly C–H
functionalization, has revolutionized the field of organic synthesis. Over the past decade …
functionalization, has revolutionized the field of organic synthesis. Over the past decade …
Exploration of ultralarge compound collections for drug discovery
WA Warr, MC Nicklaus, CA Nicolaou… - Journal of Chemical …, 2022 - ACS Publications
Designing new medicines more cheaply and quickly is tightly linked to the quest of exploring
chemical space more widely and efficiently. Chemical space is monumentally large, but …
chemical space more widely and efficiently. Chemical space is monumentally large, but …
Chemical multiverse: an expanded view of chemical space
JL Medina‐Franco, AL Chávez‐Hernández… - Molecular …, 2022 - Wiley Online Library
Technological advances and practical applications of the chemical space concept in drug
discovery, natural product research, and other research areas have attracted the scientific …
discovery, natural product research, and other research areas have attracted the scientific …
Photoinduced Ligand‐to‐Metal Charge Transfer of Carboxylates: Decarboxylative Functionalizations, Lactonizations, and Rearrangements
S Gavelle, M Innocent, T Aubineau… - Advanced Synthesis & …, 2022 - Wiley Online Library
In the quest for sustainable processes, the selection of resources and catalysts is of central
importance. Carboxylic acids, which are abundant, stable and ideally biobased feedstocks …
importance. Carboxylic acids, which are abundant, stable and ideally biobased feedstocks …
Chemical library space: definition and DNA-encoded library comparison study case
R Pikalyova, Y Zabolotna, D Horvath… - Journal of Chemical …, 2023 - ACS Publications
The development of DNA-encoded library (DEL) technology introduced new challenges for
the analysis of chemical libraries. It is often useful to consider a chemical library as a stand …
the analysis of chemical libraries. It is often useful to consider a chemical library as a stand …
An update on late-stage functionalization in today's drug discovery
AP Montgomery, JM Joyce, JJ Danon… - Expert Opinion on Drug …, 2023 - Taylor & Francis
Introduction Late-stage functionalization (LSF) allows for the introduction of new chemical
groups toward the end of a synthetic sequence, which means new molecules can be rapidly …
groups toward the end of a synthetic sequence, which means new molecules can be rapidly …
Approaches for enhancing the analysis of chemical space for drug discovery
FI Saldívar-González… - Expert Opinion on Drug …, 2022 - Taylor & Francis
Introduction Chemical space is a general conceptual framework that addresses the diversity
of molecules and it has various applications. Moreover, chemical space is a cornerstone of …
of molecules and it has various applications. Moreover, chemical space is a cornerstone of …
Photoredox‐Catalyzed Generation of Tertiary Anions from Primary Amines via a Radical Polar Crossover
AD Marchese, JR Dorsheimer… - Angewandte Chemie …, 2024 - Wiley Online Library
A method for the generation of tertiary carbanions via a deaminative radical‐polar crossover
is reported using redox active imines from α‐tertiary primary amines. A variety of benzylic …
is reported using redox active imines from α‐tertiary primary amines. A variety of benzylic …
Decarboxylative Cross-Electrophile Coupling of (Hetero) Aromatic Bromides and NHP Esters
Aryl bromides are known to be challenging substrates in the decarboxylative cross-
electrophile coupling with redox-active NHP esters–the majority of such processes utilize …
electrophile coupling with redox-active NHP esters–the majority of such processes utilize …