Molecular Scaffold Hopping via Holistic Molecular Representation.
Sign Up to like & getrecommendations! Published in 2021 at "Methods in molecular biology"
DOI: 10.1007/978-1-0716-1209-5_2
Abstract: Molecular descriptors encode a variety of molecular representations for computer-assisted drug discovery. Here, we focus on the Weighted Holistic Atom Localization and Entity Shape (WHALES) descriptors, which were originally designed for scaffold hopping from natural… read more here.
Keywords: scaffold; molecular scaffold; hopping via; scaffold hopping ... See more keywords
Recent developments in matrine as a versatile molecular scaffold in small molecule drug discovery.
Sign Up to like & getrecommendations! Published in 2025 at "Future medicinal chemistry"
DOI: 10.1080/17568919.2025.2515815
Abstract: Matrine, a classical quinolizidine alkaloid derived from Sophora flavescens and Sophora tonkinensis (Fabaceae), exhibits diverse pharmacological activities including anti-inflammatory, antiviral, antifibrotic, and antitumor effects. However, its natural structure faces limitations to restrict its clinical applications… read more here.
Keywords: recent developments; versatile molecular; molecular scaffold; matrine versatile ... See more keywords
Quinones as an Efficient Molecular Scaffold in the Antibacterial/Antifungal or Antitumoral Arsenal
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms232214108
Abstract: Quinone-based compounds constitute several general classes of antibiotics that have long shown unwavering efficiency against both Gram-positive and Gram-negative microbial infections. These quinone-based antibiotics are increasingly popular due to their natural origins and are used… read more here.
Keywords: efficient molecular; molecular scaffold; scaffold antibacterial; quinone based ... See more keywords
1,3,5-Triazine: A Promising Molecular Scaffold for Novel Agents for the Treatment of Alzheimer’s Disease
Sign Up to like & getrecommendations! Published in 2025 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms26030882
Abstract: Currently, Alzheimer’s disease (AD) is one of the most frequent forms of dementia. From a molecular perspective, the molecular characteristics that better define this disease consist of abnormal protein deposits between neuronal cells, namely senile… read more here.
Keywords: alzheimer disease; disease; molecular scaffold; protein ... See more keywords
Molecular scaffold and biological activities of anti- Alzheimer agents
Sign Up to like & getrecommendations! Published in 2022 at "Tropical Journal of Pharmaceutical Research"
DOI: 10.4314/tjpr.v22i2.30
Abstract: Alzheimer’s disease (AD) is an age-associated and neurodegenerative illness which results in progressive dementia and severe cognitive malfunctions. The pathogenesis of AD is affected by some factors such as accumulation of β-amyloid, aggregation of tau… read more here.
Keywords: alzheimer agents; molecular scaffold; anti alzheimer; activities anti ... See more keywords