Design of Natural‐Product‐Inspired Multitarget Ligands by Machine Learning
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DOI: 10.1002/cmdc.201900097
Abstract: A virtual screening protocol based on machine learning models was used to identify mimetics of the natural product (−)‐galantamine. This fully automated approach identified eight compounds with bioactivities on at least one of the macromolecular… read more here.
Keywords: machine; machine learning; design natural; product inspired ... See more keywords
Synthesis, Bioevaluation, Structure-Activity Relationship and Docking Studies of Natural Product Inspired (Z)-3-benzylideneisobenzofuran-1(3H)-ones as Highly Potent antioxidants and Antiplatelet agents
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DOI: 10.1038/s41598-020-59218-6
Abstract: For the first time, a series of highly potent natural product inspired substituted (Z)-3-benzylideneisobenzofuran-1(3H)-ones 28a-t, embraced with electron-withdrawing groups (EWG) and electron-donating groups (EDG) at site I and site II, were prepared and assessed for… read more here.
Keywords: highly potent; antiplatelet agents; product inspired; natural product ... See more keywords
Ketones as strategic building blocks for the synthesis of natural product-inspired compounds.
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DOI: 10.1039/d2cs00101b
Abstract: Natural product-inspired compound collections serve as excellent sources for the identification of new bioactive compounds to treat disease. However, such compounds must necessarily be more structurally-enriched than traditional screening compounds, therefore inventive synthetic strategies and… read more here.
Keywords: product inspired; inspired compounds; product; building blocks ... See more keywords
Screening a Natural Product-Inspired Library for Anti-Phytophthora Activities
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DOI: 10.3390/molecules26071819
Abstract: Phytophthora is a genus of microorganisms that cause devastating dieback and root-rot diseases in thousands of plant hosts worldwide. The economic impact of Phytophthora diseases on crops and native ecosystems is estimated to be billions… read more here.
Keywords: inspired library; anti phytophthora; product inspired; natural product ... See more keywords