Design and synthesis of TPP+-Mitomycin C conjugate with reduced toxicity

Huang, Ding; Zhang, Maojie; Zhang, Haiyan; Cui, Zhiying; Luo, Dong; Li, Tao; Li, Xuemin; He, Yun; Zhang, Shaolin

doi:10.1016/j.bmcl.2022.129036

Cited by 5 publications

(3 citation statements)

References 25 publications

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“…However, the yield was improved using conventional heating at 140 °C for 30 min, in a sealed process vial at a Monowave 50 reactor, instead of microwaves. Then, compounds AH4 and AB4 were oxidized to the respective quinone, which subsequently reacted with the enamine, 4-(2-methyl-1-propenyl)-morpholine, generating substituted furans [ 79 ], which were not isolated. The acidic treatment, at reflux in ethanol, of each crude mixture, allows for obtaining the substituted bicyclic hydroquinones NH4, and NB4, which are analogs to those that have been previously reported by us [ 33 , 37 ].…”

Section: Resultsmentioning

confidence: 99%

Linking triphenylphosphonium cation to a bicyclic hydroquinone improves their antiplatelet effect via the regulation of mitochondrial function

Méndez,

Tellería,

Monroy-Cárdenas

et al. 2024

Redox Biology

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Section: Resultsmentioning

confidence: 99%

Linking triphenylphosphonium cation to a bicyclic hydroquinone improves their antiplatelet effect via the regulation of mitochondrial function

Méndez,

Tellería,

Monroy-Cárdenas

et al. 2024

Redox Biology

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“…An external test set was curated by searching PubMed for papers from the last two years 2022–2020 describing “mouse and LD 50 .” These papers resulted in 53 molecules not in the training sets (Table ) that were ultimately used as a test set for the mouse toxicity models consisting of mouse data for oral (46), IV (4), and IP (2). − …”

Section: Methodsmentioning

confidence: 99%

Comparing LD₅₀/LC₅₀ Machine Learning Models for Multiple Species

Lane

Harris

Urbina

et al. 2023

ACS Chem. Health Saf.

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The lethal dose or concentration which kills 50% of the animals (LD50 or LC50) is an important parameter for scientists to understand the toxicity of chemicals in different scenarios that can be used to make go-no-go decisions, and ultimately assist in the choice of the right personal protective equipment needed for containment. The LD50 assessment process has also required the use of many animals although modern methods have reduced the number of rats needed. Since a compound is usually considered highly toxic when the LD50 is lower than 25 mg/kg, such a classification provides potentially valuable safety information to synthetic chemists and other safety assessment scientists. The need for finding alternative approaches such as computational methods is important to ultimately reduce animal use for this testing further still. We now summarize our efforts to use public data for building in vivo LD50 or LC50 classification and regression machine learning models for various species (rat, mouse, fish, and daphnia) and their fivefold cross-validation statistics with different machine learning algorithms as well as an external curated test set for mouse LD50. These datasets consist of different molecule classes, may cover different activity ranges, and also have a range of dataset sizes. The challenges of using such computational models are that their applicability domain will also need to be understood so that they can be used to make reliable predictions for novel molecules. These machine learning models will also need to be backed up with experimental validation. However, such models could also be used for efforts to bridge gaps in individual toxicity datasets. Making such models available also opens them up to potential misuse or dual use. We will summarize these efforts and propose that they could be used for scoring the millions of commercially available molecules, most of which likely do not have a known LD50 or for that matter any data in vitro or in vivo for toxicity.

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“…More importantly, MMC can also be used as a radiosensitizer to improve the effect of RT. 124,125 Thus, the combination of MMC and X-rays may help improve the effectiveness of cancer treatments. Wenpei Fan et al designed a rattle-structured upconversion core/mesoporous silica nanotheranostic system (RUMSNs-TAT) to transport the radiosensitizing drug MMC directly into the nucleus (Fig.…”

Section: Synergistic Therapymentioning

confidence: 99%

Research progress in nucleus-targeted tumor therapy

Chen,

Cao,

Xiang

et al. 2023

Biomater. Sci.

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Design and synthesis of TPP+-Mitomycin C conjugate with reduced toxicity

Cited by 5 publications

References 25 publications

Linking triphenylphosphonium cation to a bicyclic hydroquinone improves their antiplatelet effect via the regulation of mitochondrial function

Linking triphenylphosphonium cation to a bicyclic hydroquinone improves their antiplatelet effect via the regulation of mitochondrial function

Comparing LD₅₀/LC₅₀ Machine Learning Models for Multiple Species

Research progress in nucleus-targeted tumor therapy

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Design and synthesis of TPP+-Mitomycin C conjugate with reduced toxicity

Cited by 5 publications

References 25 publications

Linking triphenylphosphonium cation to a bicyclic hydroquinone improves their antiplatelet effect via the regulation of mitochondrial function

Linking triphenylphosphonium cation to a bicyclic hydroquinone improves their antiplatelet effect via the regulation of mitochondrial function

Comparing LD50/LC50 Machine Learning Models for Multiple Species

Research progress in nucleus-targeted tumor therapy

Contact Info

Product

Resources

About

Comparing LD₅₀/LC₅₀ Machine Learning Models for Multiple Species