Bioisosteres of the phenyl ring: recent strategic applications in lead optimization and drug design
MAM Subbaiah, NA Meanwell - Journal of Medicinal Chemistry, 2021 - ACS Publications
The benzene moiety is the most prevalent ring system in marketed drugs, underscoring its
historic popularity in drug design either as a pharmacophore or as a scaffold that projects …
historic popularity in drug design either as a pharmacophore or as a scaffold that projects …
Advances in targeting 'undruggable'transcription factors with small molecules
Transcription factors (TFs) represent key biological players in diseases including cancer,
autoimmunity, diabetes and cardiovascular disease. However, outside nuclear receptors …
autoimmunity, diabetes and cardiovascular disease. However, outside nuclear receptors …
Amelioration of Alzheimer's disease pathology by mitophagy inducers identified via machine learning and a cross-species workflow
A reduced removal of dysfunctional mitochondria is common to aging and age-related
neurodegenerative pathologies such as Alzheimer's disease (AD). Strategies for treating …
neurodegenerative pathologies such as Alzheimer's disease (AD). Strategies for treating …
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease
Abstract COVID-19, caused by SARS-CoV-2, lacks effective therapeutics. Additionally, no
antiviral drugs or vaccines were developed against the closely related coronavirus, SARS …
antiviral drugs or vaccines were developed against the closely related coronavirus, SARS …
Progress and challenges in targeting the SARS-CoV-2 papain-like protease
SARS-CoV-2 is the causative agent of the COVID-19 pandemic. The approval of vaccines
and small-molecule antivirals is vital in combating the pandemic. The viral polymerase …
and small-molecule antivirals is vital in combating the pandemic. The viral polymerase …
An open-source drug discovery platform enables ultra-large virtual screens
On average, an approved drug currently costs US $2–3 billion and takes more than 10 years
to develop. In part, this is due to expensive and time-consuming wet-laboratory experiments …
to develop. In part, this is due to expensive and time-consuming wet-laboratory experiments …
Expanding chemical probe space: quality criteria for covalent and degrader probes
Within druggable target space, new small-molecule modalities, particularly covalent
inhibitors and targeted degraders, have expanded the repertoire of medicinal chemists …
inhibitors and targeted degraders, have expanded the repertoire of medicinal chemists …
Dual synergistic inhibition of COX and LOX by potential chemicals from Indian daily spices investigated through detailed computational studies
Abstract Cyclooxygenase (COX) and Lipoxygenase (LOX) are essential enzymes for
arachidonic acid (AA) to eicosanoids conversion. These AA-derived eicosanoids are …
arachidonic acid (AA) to eicosanoids conversion. These AA-derived eicosanoids are …
Enhancing activity prediction models in drug discovery with the ability to understand human language
Activity and property prediction models are the central workhorses in drug discovery and
materials sciences, but currently, they have to be trained or fine-tuned for new tasks. Without …
materials sciences, but currently, they have to be trained or fine-tuned for new tasks. Without …
Glycomimetics for the inhibition and modulation of lectins
Carbohydrates are essential mediators of many processes in health and disease. They
regulate self-/non-self-discrimination, are key elements of cellular communication, cancer …
regulate self-/non-self-discrimination, are key elements of cellular communication, cancer …