Chromone Alkaloids: Structural Features, Distribution in Nature, and Biological Activity

Bondarenko, S. P.; Frasinyuk, M. S.

doi:10.1007/s10600-019-02656-0

Cited by 14 publications

(5 citation statements)

References 261 publications

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“…Significantly, Armochaetoglobins K-R and Quartromicin D2 are actively studied as antivirals (primarily HIV) against viral infections such as influenza virus type A, human immunodeficiency virus, and herpes simplex virus type 1 [ 53 , 54 ]. Additionally, Pyralomicin is reported for its antibacterial activities [ 55 ]. Therefore, these may possess high viability as an anticancer for human cancers related to MCM7.…”

Section: Discussionmentioning

confidence: 99%

High-Throughput Screening and Molecular Dynamics Simulation of Natural Products for the Identification of Anticancer Agents against MCM7 Protein

Zhang

Chen

Lin

et al. 2022

Applied Bionics and Biomechanics

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Minichromosome maintenance complex component 7 (MCM7) belongs to the minichromosome maintenance family that is necessary for the initiation of eukaryotic DNA replication. Overexpression of the MCM7 protein is linked to cellular proliferation and is accountable for critical malignancy in many cancers. Mechanistically, the suppression of MCM7 greatly lowers the cellular proliferation associated with cancer. Advances in immunotherapy have revolutionized treatments for many types of cancer. To date, no effective small molecular candidate has been found that can stop the advancement of cancer produced by the MCM7 protein. Here, we present the findings of methods that used a combination of structure-assisted drug design, high-throughput virtual screening, and simulations studies to swiftly generate lead compounds against MCM7 protein. In the current study, we designed efficient compounds that may combat all emerging cancer targeting the common MCM7 protein. For this objective, a molecular docking and molecular dynamics (MD) simulation-based virtual screening of 29,000 NPASS library was carried out. As a consequence of using specific pharmacological, physiological, and ADMET criteria, four new prevailing compounds, NPA000018, NPA000111, NPA00305, and NPA014826, were successfully selected. The MD simulations were also used for a time period of 50 ns to evaluate for stability and dynamics behavior of the compounds. Eventually, compounds NPA000111 and NPA014826 were found to be highly potent against MCM7 protein. According to our results, the selected compounds may be effective in treating certain cancer subtypes, for which additional follow-up experimental validation is recommended.

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Section: Discussionmentioning

confidence: 99%

High-Throughput Screening and Molecular Dynamics Simulation of Natural Products for the Identification of Anticancer Agents against MCM7 Protein

Zhang

Chen

Lin

et al. 2022

Applied Bionics and Biomechanics

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“…The medicinal value of the extract of this plant is attributed to a related compound, barakol, which has sedative and anxiolytic properties 35,36 . These structures belong to a class of pyranoisoquinolines known as Cassiarines (A-J), which are also found in the extracts of the Cassia family 37 . Yet another compound predicted to be potentially binding to the main protease is 5,6-dihydro, 5α-chloro-6β-hydroxy-Jaborosalactone 5 [CNP0252890], one of several jaborosalactones 38 ; naturally-occurring Withanolide chlorohydrins found in the extracts of species in the genus Jaborosa that have been reported to act as insect anti-feedants 39 .…”

Section: Discussionmentioning

confidence: 99%

High Performance Computing Prediction of Potential Natural Product Inhibitors of SARS-CoV-2 Key Targets

Baudry¹

2020

Preprint

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“…[1] Crossing flavonoid and alkaloid biosynthetic pathways makes it possible to produce nitrogen-containing flavonoids, an essential class of flavoalkaloids. [2,3] The Leguminosae (Fabaceae) family is a unique source of naturally occurring isoflavonoids. Plants in this family are also a source of qiunazolidine alkaloids, and (À )-cytisine is the most known of them which confirmed various publications of its modification, synthesis, and biological activity in recent years.…”

Section: Introductionmentioning

confidence: 99%

“…Crossing flavonoid and alkaloid biosynthetic pathways makes it possible to produce nitrogen‐containing flavonoids, an essential class of flavoalkaloids [2,3] . The Leguminosae (Fabaceae) family is a unique source of naturally occurring isoflavonoids.…”

Section: Introductionmentioning

confidence: 99%

Structure–Activity Relationship Prediction‐Based Synthesis and Cytotoxicity Evaluation against the HEp‐2 Laryngeal Carcinoma Cell of Isoflavone–Cytisine Mannich Bases

Mrug,

Hodyna,

Metelytsia

et al. 2023

Chemistry & Biodiversity

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QSAR analysis of previously synthesized and nature‐inspired virtual isoflavone‐cytisine hybrids against the HEp‐2 laryngeal carcinoma cell lines was performed using the OCHEM web platform. The validation of the models using an external test set proved that the models can be used to predict the activity of newly designed compounds such as 8‐cytisinylmethyl derivatives of 5,7‐ and 6,7‐dihydroxyisoflavones. The synthetic procedure for selective aminomethylation of 5,7‐dihydroxyisoflavones with cytisine was developed. In vitro testing identified compound 7 f with cisplatin‐level cytotoxicity against HEp‐2 cell lines and compound 10 which was twice active than cisplatin after 72 h of incubation.

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Chromone Alkaloids: Structural Features, Distribution in Nature, and Biological Activity

Cited by 14 publications

References 261 publications

High-Throughput Screening and Molecular Dynamics Simulation of Natural Products for the Identification of Anticancer Agents against MCM7 Protein

High-Throughput Screening and Molecular Dynamics Simulation of Natural Products for the Identification of Anticancer Agents against MCM7 Protein

High Performance Computing Prediction of Potential Natural Product Inhibitors of SARS-CoV-2 Key Targets

Structure–Activity Relationship Prediction‐Based Synthesis and Cytotoxicity Evaluation against the HEp‐2 Laryngeal Carcinoma Cell of Isoflavone–Cytisine Mannich Bases

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