2023
DOI: 10.26434/chemrxiv-2023-62vzz-v2
|View full text |Cite
Preprint
|
Sign up to set email alerts
|

Syntheses and structural plasticity of kratom pseudoindoxyl metabolites

Abstract: Pain management is one of the oldest challenges for medicine. Although opioids have been used in the treatment of moderate-to-severe acute and chronic pain for centuries, they cause various adverse effects and addiction. The intertwined societal, economic and public health issues of pain management and the risks of opioid abuse continue to receive attention and drive the development of safer analgesics. Recently, a kratom metabolite, mitragynine pseudoindoxyl has attracted increasing attention as a promising a… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
1

Citation Types

0
1
0

Year Published

2024
2024
2024
2024

Publication Types

Select...
1

Relationship

0
1

Authors

Journals

citations
Cited by 1 publication
(1 citation statement)
references
References 39 publications
0
1
0
Order By: Relevance
“…[59][60][61] One outstanding example of these approaches, the CRENSO protocol enables efficient, general metadynamics-based conformational sampling using CREST, 62,63 and further refinement of the ensemble starting from the semiempirical GFN2-xTB level to more accurate DFT functionals in CENSO. 24,64 This has proven to be a robust tool for the prediction of dynamic molecular properties in solution, such as NMR shift, 65,66 optical rotation, 67 and conformational entropy 68,69 for large flexible molecules.…”
Section: Introductionmentioning
confidence: 99%
“…[59][60][61] One outstanding example of these approaches, the CRENSO protocol enables efficient, general metadynamics-based conformational sampling using CREST, 62,63 and further refinement of the ensemble starting from the semiempirical GFN2-xTB level to more accurate DFT functionals in CENSO. 24,64 This has proven to be a robust tool for the prediction of dynamic molecular properties in solution, such as NMR shift, 65,66 optical rotation, 67 and conformational entropy 68,69 for large flexible molecules.…”
Section: Introductionmentioning
confidence: 99%