Oral druggable space beyond the rule of 5: insights from drugs and clinical candidates
The rule of 5 (Ro5) is a set of in silico guidelines applied to drug discovery to prioritize
compounds with an increased likelihood of high oral absorption. It has been influential in …
compounds with an increased likelihood of high oral absorption. It has been influential in …
Carboxylic acid (bio) isosteres in drug design
C Ballatore, DM Huryn, AB Smith III - ChemMedChem, 2013 - Wiley Online Library
The carboxylic acid functional group can be an important constituent of a pharmacophore,
however, the presence of this moiety can also be responsible for significant drawbacks …
however, the presence of this moiety can also be responsible for significant drawbacks …
An overview of brine management: Emerging desalination technologies, life cycle assessment, and metal recovery methodologies
This study examines which management methods are the most recent and advanced in
managing rejected brine generated from desalination plants. It also provides up-to-date …
managing rejected brine generated from desalination plants. It also provides up-to-date …
New Opportunities for the Utilization of the Sulfoximine Group in Medicinal Chemistry from the Drug Designer's Perspective
U Lücking - Chemistry–A European Journal, 2022 - Wiley Online Library
Extension of the medicinal chemistry toolbox is in the vital interest of drug designers.
However, the diffusion of an innovation can be a lengthy process. Along these lines, it took …
However, the diffusion of an innovation can be a lengthy process. Along these lines, it took …
Divergent C–H functionalizations directed by sulfonamide pharmacophores: late-stage diversification as a tool for drug discovery
HX Dai, AF Stepan, MS Plummer… - Journal of the …, 2011 - ACS Publications
Modern drug discovery is contingent on identifying lead compounds and rapidly
synthesizing analogues. The use of a common pharmacophore to direct multiple and …
synthesizing analogues. The use of a common pharmacophore to direct multiple and …
Methods to enhance the metabolic stability of peptide-based PET radiopharmaceuticals
The high affinity and specificity of peptides towards biological targets, in addition to their
favorable pharmacological properties, has encouraged the development of many peptide …
favorable pharmacological properties, has encouraged the development of many peptide …
Software for systems biology: from tools to integrated platforms
Understanding complex biological systems requires extensive support from software tools.
Such tools are needed at each step of a systems biology computational workflow, which …
Such tools are needed at each step of a systems biology computational workflow, which …
Sulfonimidamides in medicinal and agricultural chemistry
The synthesis and evaluation of structural analogues and isosteres are of central importance
in medicinal and agricultural chemistry. The sulfonamide functional group represents one of …
in medicinal and agricultural chemistry. The sulfonamide functional group represents one of …
Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides
Sulfinamides are some of the most centrally important four-valent sulfur compounds that
serve as critical entry points to an array of emergent medicinal functional groups, molecular …
serve as critical entry points to an array of emergent medicinal functional groups, molecular …
Nickel-catalyzed decarboxylative cross-coupling of bicyclo [1.1. 1] pentyl radicals enabled by electron donor–acceptor complex photoactivation
VC Polites, SO Badir, S Keess, A Jolit… - Organic letters, 2021 - ACS Publications
The use of bicyclo [1.1. 1] pentanes (BCPs) as para-disubstituted aryl bioisosteres has
gained considerable momentum in drug development programs. Carbon–carbon bond …
gained considerable momentum in drug development programs. Carbon–carbon bond …