Synthesis and chemical diversity analysis of bicyclo[3.3.1]non-3-en-2-ones

AbstractThe chemical space of naturally occurring compounds is vast and diverse. Other than biologics, naturally occurring small molecules include a large variety of compounds covering natural products from different sources such as plant, marine, and fungi, to name a few, and several food chemicals. The systematic exploration of the chemical space of naturally occurring compounds have significant implications in many areas of research including but not limited to drug discovery, nutrition, bio- and chemical diversity analysis. The exploration of the coverage and diversity of the chemical space of compound databases can be carried out in different ways. The approach will largely depend on the criteria to define the chemical space that is commonly selected based on the goals of the study. This chapter discusses major compound databases of natural products and cheminformatics strategies that have been used to characterize the chemical space of natural products. Recent exemplary studies of the chemical space of natural products from different sources and their relationships with other compounds are also discussed. We also present novel chemical descriptors and data mining approaches that are emerging to characterize the chemical space of naturally occurring compounds.

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Chemical diversity analysis and biological activities evaluation of different polyphenolic extracts of Marrubium deserti De Noé from Algeria

Journal of Ethnopharmacology ◽

10.1016/j.jep.2021.114494 ◽

2021 ◽

pp. 114494

Author(s):

Somia Saad ◽

Saida Ouafi ◽

Hassina Meguellati ◽

Nadjette Djemouai

Keyword(s):

Biological Activities ◽

Chemical Diversity ◽

Diversity Analysis ◽

Marrubium Deserti

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Chemical diversity analysis on some selected medicinally important pteridophytes of Western Ghats, India

Asian Pacific Journal of Tropical Biomedicine ◽

10.1016/s2221-1691(12)60126-9 ◽

2012 ◽

Vol 2 (1) ◽

pp. S34-S39 ◽

Cited By ~ 6

Author(s):

Muraleedharannair Jalajakumari Mithraja ◽

Johnson Marimuthu @ Antonisamy ◽

Mony Mahesh ◽

Zachariah Miller Paul ◽

Solomon Jeeva

Keyword(s):

Western Ghats ◽

Chemical Diversity ◽

Diversity Analysis

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Influence of Environmental Factors on the Genetic and Chemical Diversity of Brickellia veronicifolia Populations Growing in Fragmented Shrublands from Mexico

Plants ◽

10.3390/plants10020325 ◽

2021 ◽

Vol 10 (2) ◽

pp. 325

Author(s):

Yesenia Pacheco-Hernández ◽

Nemesio Villa-Ruano ◽

Edmundo Lozoya-Gloria ◽

César Augusto Barrales-Cortés ◽

Fabiola Eloisa Jiménez-Montejo ◽

...

Keyword(s):

Environmental Factors ◽

Shannon Index ◽

Chemical Diversity ◽

Maximum Temperature ◽

Diversity Analysis ◽

Caryophyllene Oxide ◽

Climatic Parameters ◽

Fragmented Habitats ◽

Mantel Tests ◽

Per Se

Brickellia veronicifolia is a native Asteraceae from Mexico that persists in fragmented habitats. This investigation reports the genetic and chemical diversity of B. veronicifolia. The diversity analysis based on iPBS markers showed an averaged Shannon index (S) of 0.3493, a Nei genetic diversity (h) of 0.2256, and a percentage of polymorphic loci average (P) of 80.7867%. The population structure obtained by AMOVA revealed that the highest variation found within populations was 94.58%. GC-MS profiling of six populations indicated that major volatiles were β–caryophyllene (11.63%), spathulenol (12.85%), caryophyllene oxide (13.98%), α–cadinol (7.04%), cubedol (6.72%) and tau-muurolol (4.81%). Mantel tests suggested a statistically significant relationship between minor volatiles and geographical distance (r = 0.6163; p = 0.0470; p ˂ 0.05). Likewise, major volatiles showed a significant correlation with the soil pH (r = 0.6862; p = 0.0230) and maximum temperature (r = 0.4999; p = 0.0280). Our study suggests that the variation and genetic divergence of B. veronicifolia has no relationship with climatic parameters, whereas the volatiles are probably influenced by environmental factors and not by the genotype per se. Based on the characteristics of B. veronicifolia, this plant could be considered as a candidate for restoring fragmented shrublands in Mexico.

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