Discovery of N-hydroxy-3-alkoxybenzamides as direct acid sphingomyelinase inhibitors using a ligand-based pharmacophore model

Yang, Kan; Nong, Keyi; Gu, Qiong; Dong, Jianyu

doi:10.1016/j.ejmech.2018.03.065

Cited by 15 publications

(15 citation statements)

References 42 publications

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“…The treatment of 50 mg/kg mangosteen extract onto the model animal of depression, flinders sensitive line rats was able to improve cognitive ability and promote the repair process of hippocampal damage of the rats (Oberholzer et al, 2018). α-mangostin also has been modified such that it can inhibit acid sphingomyelinase effectively which is often associated with central nervous system damage and metabolic disorder (Yang et al, 2018). This modified α-mangostin contains C10 hydrophobic tail extension which confer the potency of the compound, is also implicated in anti-inflammatory and anti-apoptotic action against an in vitro NIH3T3 fibroblast cell line treatments (Yang et al, 2018).…”

Section: Introductionmentioning

confidence: 99%

“…α-mangostin also has been modified such that it can inhibit acid sphingomyelinase effectively which is often associated with central nervous system damage and metabolic disorder (Yang et al, 2018). This modified α-mangostin contains C10 hydrophobic tail extension which confer the potency of the compound, is also implicated in anti-inflammatory and anti-apoptotic action against an in vitro NIH3T3 fibroblast cell line treatments (Yang et al, 2018).…”

Section: Introductionmentioning

confidence: 99%

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Recent updates on metabolite composition and medicinal benefits of mangosteen plant

Aizat¹,

Jamil²,

Ahmad-Hashim³

et al. 2019

PeerJ

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Background Mangosteen (Garcinia mangostana L.) fruit has a unique sweet-sour taste and rich in beneficial compounds such as xanthones. Mangosteen has been originally used in various folk medicines to treat diarrhea, wound, and fever. More recently, it has been used as a major component in health supplement products for weight loss and promoting general health. This is perhaps due to its known medicinal benefits including as anti-oxidant and anti-inflammation. Interestingly, the publications related to mangosteen has surged in recent years suggesting its popularity and usefulness in research laboratories. However, there is still no updated reviews (up to 2018) in this booming research area, particularly on its metabolite composition and medicinal benefits. Method In this review, we have covered recent articles within the year of 2016 to 2018, which focuses on several aspects including the latest findings on compound composition from mangosteen fruit as well as its medicinal usages. Result Mangosteen has been vastly used in medicinal areas including as anti-cancer, anti-microbial, and anti-diabetes treatments. Furthermore, we have also described the benefits of mangosteen extract in protecting various human organs such as liver, skin, joint, eye, neuron, bowel, and cardiovascular tissues against disorders and diseases. Conclusion All in all, this review describes the numerous manipulations of mangosteen extracted compounds in medicinal areas and highlights the current trend of its research. This will be important for future directed research and may allow researchers to tackle the next big challenge in mangosteen study; drug development and human applications.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Recent updates on metabolite composition and medicinal benefits of mangosteen plant

Aizat¹,

Jamil²,

Ahmad-Hashim³

et al. 2019

PeerJ

View full text Add to dashboard Cite

show abstract

“…The treatment of 50 mg/kg mangosteen extract onto the model animal of depression, Flinders Sensitive Line rats was able to improve cognitive ability and promote the repair process of hippocampal damage of the rats (Oberholzer et al 2018). α-mangostin also has been modified such that it can inhibit acid sphingomyelinase effectively which is often associated with central nervous system damage and metabolic disorder (Yang et al 2018). This modified α-mangostin contains C10 hydrophobic tail PeerJ reviewing PDF | (2018:09:30985:1:1:NEW 30 Nov 2018)…”

Section: Manuscript To Be Reviewedmentioning

confidence: 99%

“…Manuscript to be reviewed extension which confer the potency of the compound, is also implicated in anti-inflammatory and anti-apoptotic action against an in vitro NIH3T3 fibroblast cell line treatments (Yang et al 2018).…”

Section: Manuscript To Be Reviewedmentioning

confidence: 99%

Peer Review #2 of "Recent updates on metabolite composition and medicinal benefits of mangosteen plant (v0.2)"

2019

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Background. Mangosteen (Garcinia mangostana L.) fruit has unique sweet-sour taste and rich in beneficial compounds such as xanthones. Mangosteen has been originally used in various folk medicines to treat diarrhea, wound and fever. More recently, it has been used as a major component in health supplement products for weight loss and promoting general health. This is perhaps due to its known medicinal benefits including as anti-oxidant and anti-inflammation. Interestingly, the publications related to mangosteen has surged in recent years suggesting its popularity and usefulness in research laboratories. However, there is still no updated reviews (up to 2018) in this booming research area, particularly on its metabolite composition and medicinal benefits. Method. In this review, we have covered recent articles within the year of 2016 to 2018, which focuses on several aspects including the latest findings on compound composition from mangosteen fruit as well as its medicinal usages. Result. Mangosteen has been vastly used in medicinal area including as anti-cancer, anti-microbial and anti-diabetes treatments. Furthermore, we have also described the benefits of mangosteen extract in protecting various human organs such as liver, skin, joint, eye, neuron, bowel and cardiovascular tissues against disorders and diseases. Conclusion. All in all, this review describes the numerous manipulations of mangosteen extracted compounds in medicinal areas and highlights the current trend of its research. This will be important for future directed research and may allow researchers to tackle the next big challenge in mangosteen study; drug development and human applications.

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“…If the receptor-ligand complex is obtained, the crystal structure can produce a very accurate pharmacophore model. The pharmacophore modeling strategy has been successfully applied to drug development, such as virtual screening and structural modification [ 12 , 13 , 14 ].…”

Section: Introductionmentioning

confidence: 99%

Novel Transforming Growth Factor-Beta Receptor 1 Antagonists through a Pharmacophore-Based Virtual Screening Approach

et al. 2018

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As new drugs for the treatment of malignant tumors, transforming growth factor-beta receptor 1 (TGFβR1) antagonists have attracted wide attention. Based on the crystal structure of TGFβR1-BMS22 complex, the pharmacophore model A02 with two hydrogen bond acceptors (HBAs) and four hydrophobic (HYD) properties was constructed. From the common features of active ligands reported in the literature, pharmacophore model B10 was also generated, which has two aromatic ring centers (RAs) and two HYD properties. The two models have high sensitivity and specificity to the training set, and they are highly consistent in spatial structure. Combining the two pharmacophore models, two novel skeleton structures with potential activity were selected by virtual screening from the DruglikeDiverse, MiniMaybridge, and ZINC Drug-Like databases. Four compounds (YXY01–YXY04) with potential anti-TGFβR1 activity were designed based on the new skeleton structures. In combination with Lipinski’s rules; absorption, distribution, metabolism, excretion, and toxicity (ADMET); and, toxicological properties predicted in the study, YXY01-03 with the novel skeleton, good drug-like properties, and potential activity were finally discovered and may have higher safety relative to BMS22, which may be valuable for further research.

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Discovery of N-hydroxy-3-alkoxybenzamides as direct acid sphingomyelinase inhibitors using a ligand-based pharmacophore model

Cited by 15 publications

References 42 publications

Recent updates on metabolite composition and medicinal benefits of mangosteen plant

Recent updates on metabolite composition and medicinal benefits of mangosteen plant

Peer Review #2 of "Recent updates on metabolite composition and medicinal benefits of mangosteen plant (v0.2)"

Novel Transforming Growth Factor-Beta Receptor 1 Antagonists through a Pharmacophore-Based Virtual Screening Approach

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