Identification of Phytochemicals and RNA-Seq Combined in Silico Analysis of Active Compounds and Lung Cancer Related Targets of Cuscuta chinensis Lam DOI Creative Commons

Taierpuke Maimaiti,

Mourboul Ablise,

Aikebaier Maimaiti

et al.

Natural Product Communications, Journal Year: 2025, Volume and Issue: 20(5)

Published: May 1, 2025

Objectives Cuscuta chinensis Lam.(C. chinensis) is a common medicinal plant, rich in bioactive compounds. However, the anti-lung cancer active compounds of C. chinensis, and related molecular mechanisms are not clear yet. Methods The peaks CLW fingerprinting were analyzed using LC/MS/QTOF. Total phenolic flavonoid contents evaluated utilizing Foline-Ciocalteu colorimetric aluminum chloride assay. Cytotoxicity assay was performed for cell viability vitro. Gene expression profiles determined RNA-seq analysis. potential targets screened silico. A herb-comound-target-disease network constructed to prediction key targets. Docking analysis with Autodock Vina 1.1.2. Toxicity assessment conducted ToxTree v3.1.0. Results 32 tentatively identified, main chemical ingredients predicted as flavonoids, glycosidic acids, lignans, phenylpropanoids, acids resin glycosides, further quantified its phenolics flavonoids. inhibited LLC cells time dose dependent manner. Moreover, revealed 79 genes significantly altered under treatment. In addition, Ontology biological processes (GOBP) suggested that these associated regulation protein function proliferation. Furthermore, silico screening results identified 33 chinensis. Besides, combined pharmacology effectively 8 highly Bone morphogenetic 1 (BMP1), Cyclin C (CCNC) Heat shock 90β1 (HSP90B1) lung cancer. Finally, docking toxicity demonstrated medioresinol, (-)-pinoresinol, gitoxigenin n-trans-feruloyltyramine shows strong binding affinity BMP1B, CCNC HSP90B1, non-toxic. Conclusions This suggesting may provides new promising lead

Language: Английский

The potential of Abrus precatorius leaves in arthritis alleviation computational approaches through lC-MS analysis DOI Creative Commons

Sukanya Vijayan,

Thirumal Margesan

Future Science OA, Journal Year: 2025, Volume and Issue: 11(1)

Published: March 25, 2025

This study explores the therapeutic potential of Abrus precatorius leaves in arthritis treatment using computational methods and LC-MS analysis. The plant material was taxonomically authenticated, phytochemical analysis identified bioactive compounds such as alkaloids, flavonoids, triterpenoids. Swiss ADME confirmed that multiple complied with Lipinski's Rule Five, while OSIRIS software indicated minimal toxicity. PASS predicted anti-inflammatory antioxidant activities. Molecular docking simulations Abrine key rheumatoid (RA) targets revealed strong binding affinities, suggesting mechanisms for RA treatment. research highlights medicinal emphasizes importance tools understanding their pharmacological properties management.

Language: Английский

Citations

0
Identification of Phytochemicals and RNA-Seq Combined in Silico Analysis of Active Compounds and Lung Cancer Related Targets of Cuscuta chinensis Lam DOI Creative Commons

Taierpuke Maimaiti,

Mourboul Ablise,

Aikebaier Maimaiti

et al.

Natural Product Communications, Journal Year: 2025, Volume and Issue: 20(5)

Published: May 1, 2025

Objectives Cuscuta chinensis Lam.(C. chinensis) is a common medicinal plant, rich in bioactive compounds. However, the anti-lung cancer active compounds of C. chinensis, and related molecular mechanisms are not clear yet. Methods The peaks CLW fingerprinting were analyzed using LC/MS/QTOF. Total phenolic flavonoid contents evaluated utilizing Foline-Ciocalteu colorimetric aluminum chloride assay. Cytotoxicity assay was performed for cell viability vitro. Gene expression profiles determined RNA-seq analysis. potential targets screened silico. A herb-comound-target-disease network constructed to prediction key targets. Docking analysis with Autodock Vina 1.1.2. Toxicity assessment conducted ToxTree v3.1.0. Results 32 tentatively identified, main chemical ingredients predicted as flavonoids, glycosidic acids, lignans, phenylpropanoids, acids resin glycosides, further quantified its phenolics flavonoids. inhibited LLC cells time dose dependent manner. Moreover, revealed 79 genes significantly altered under treatment. In addition, Ontology biological processes (GOBP) suggested that these associated regulation protein function proliferation. Furthermore, silico screening results identified 33 chinensis. Besides, combined pharmacology effectively 8 highly Bone morphogenetic 1 (BMP1), Cyclin C (CCNC) Heat shock 90β1 (HSP90B1) lung cancer. Finally, docking toxicity demonstrated medioresinol, (-)-pinoresinol, gitoxigenin n-trans-feruloyltyramine shows strong binding affinity BMP1B, CCNC HSP90B1, non-toxic. Conclusions This suggesting may provides new promising lead

Language: Английский

Citations

0