Molecular Scaffold Hopping via Holistic Molecular Representation.
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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
Quinones as an Efficient Molecular Scaffold in the Antibacterial/Antifungal or Antitumoral Arsenal
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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
Molecular scaffold and biological activities of anti- Alzheimer agents
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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