Novel chemical space exploration via natural products.
J Med Chem. 2009.
PMID: 19265440
Free PMC article.
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Novel chemical space exploration via natural products.
J Med Chem. 2009 Apr 9;52(7):1953-62. doi: 10.1021/jm801514w.
J Med Chem. 2009.
PMID: 19265440
Free PMC article.
Natural products (NPs) are a rich source of novel compound classes and new drugs. ...The two sets differ notably in coverage of chemical space, and tangible leadlike NPs were found to cover regions of chemical space that lack repre …
Natural products (NPs) are a rich source of novel compound classes and new drugs. ...The two sets differ notably in cov …
67 million natural product-like compound database generated via molecular language processing.
Sci Data. 2023 May 19;10(1):296. doi: 10.1038/s41597-023-02207-x.
Sci Data. 2023.
PMID: 37208372
Free PMC article.
For natural product discovery, high throughput in silico screening offers a cost-effective alternative to traditional resource-heavy assay-guided exploration of structurally novel chemical space. ...This study highlights the potential of using d …
For natural product discovery, high throughput in silico screening offers a cost-effective alternative to traditional resource-heavy …
Exploring Anti-osteoporosis Medicinal Herbs using Cheminformatics and Deep Learning Approaches.
Comb Chem High Throughput Screen. 2023;26(9):1802-1811. doi: 10.2174/1386207325666220905155923.
Comb Chem High Throughput Screen. 2023.
PMID: 36065918
BACKGROUND: Osteoporosis is a prevalent disease for the aged population. Chinese herbderived natural compounds have anti-osteoporosis effects. Due to the complexity of chemical ingredients and natural products, it is necessary to develop a high-through …
BACKGROUND: Osteoporosis is a prevalent disease for the aged population. Chinese herbderived natural compounds have anti-osteoporosis …
Evidence of Insulin-Sensitizing and Mimetic Activity of the Sesquiterpene Quinone Avarone, a Protein Tyrosine Phosphatase 1B and Aldose Reductase Dual Targeting Agent from the Marine Sponge Dysidea avara.
Pharmaceutics. 2023 Feb 4;15(2):528. doi: 10.3390/pharmaceutics15020528.
Pharmaceutics. 2023.
PMID: 36839851
Free PMC article.
Therefore, modern drug discovery in its early stages aims to identify potential modulators for multiple targets; for this purpose, exploration of the chemical space of natural products represents a powerful tool. ...In addition, we show that ava …
Therefore, modern drug discovery in its early stages aims to identify potential modulators for multiple targets; for this purpose, explor …
Enhancing cell-scale performance via sustained release of the varicella-zoster virus antigen from a microneedle patch under simulated microgravity.
Biomater Sci. 2024 Jan 30;12(3):763-775. doi: 10.1039/d3bm01440a.
Biomater Sci. 2024.
PMID: 38164004
The immune system of astronauts might become weakened in the microgravity environment in space, and the dormant varicella-zoster virus (VZV) in the body might be reactivated, seriously affecting their work and safety. ...Eventually, we verified the activation of dendritic …
The immune system of astronauts might become weakened in the microgravity environment in space, and the dormant varicella-zoster viru …
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