Antioxidant Effects, Antiproliferative Effects, and Molecular Docking of Clinacanthus nutans Leaf Extracts

• Published in: Molecules (Basel, Switzerland) Vol. 25; no. 9; p. 2067
• Main Authors: Ismail, Noor Zafirah, Md Toha, Zaleha, Muhamad, Musthahimah, Nik Mohamed Kamal, Nik Nur Syazni, Mohamad Zain, Nur Nadhirah, Arsad, Hasni
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 29.04.2020; MDPI
• Subjects: Acanthaceae - chemistry; Antineoplastic Agents, Phytogenic - chemistry; Antineoplastic Agents, Phytogenic - isolation & purification; Antineoplastic Agents, Phytogenic - pharmacology; antioxidant; Antioxidants; Antioxidants - chemistry; Antioxidants - isolation & purification; Antioxidants - pharmacology; antiproliferative effect; Antiproliferatives; Breast cancer; Butanol; Cell division; Cell growth; Cell Line, Tumor; Chemical Fractionation; Chemotherapy; Chloroform; Clinacanthus nutans; Cytotoxicity; Dichloromethane; Dose-Response Relationship, Drug; Flavonoids; Gas chromatography; Gas Chromatography-Mass Spectrometry; GC-MS; Herbal medicine; Humans; Mass spectrometry; Mass spectroscopy; Molecular Conformation; Molecular docking; Molecular Docking Simulation; Molecular Dynamics Simulation; Molecular Structure; Natural products; p53 Protein; Palmitic acid; Phenolic compounds; Phenols; Plant extracts; Plant Extracts - chemistry; Plant Extracts - isolation & purification; Plant Extracts - pharmacology; Plant Leaves - chemistry; Proteins; Residues; Scavenging; Selectivity; Studies; GC-MS; antiproliferative effect; antioxidant; molecular docking; Clinacanthus nutans
• ISSN: 1420-3049; 1420-3049
• DOI: 10.3390/molecules25092067

is a well-known herb that has been used as an alternative and therapeutic medicine, however more selective extracts are needed. In this study, leaves were extracted with 80% methanol and further fractionated with -hexane, dichloromethane, chloroform, n-butanol, and aqueous residue. Subsequently, the total phenolic content (TPC), total flavonoid content (TFC), antioxidant scavenging activity, and antiproliferative effects on breast cancer (Michigan Cancer Foundation-7 [MCF7]) and normal breast (Michigan Cancer Foundation-10A [MCF 10A]) cells of the extracts were measured. Additionally, molecular docking simulation of the major compounds from extracts was conducted. The aqueous residue had the highest TPC and TFC, whereas the crude extract had the highest scavenging activity. Among the extracts, dichloromethane extract (CN-Dcm) was selected as it had the highest selectivity index (SI) (1.48). Then, the chosen extract (CN-Dcm) was proceed for further analysis. The compounds from CN-Dcm were identified using gas chromatography-mass spectrometry (GC-MS). The major compounds from CN-Dcm were further investigated through molecular docking studies. Palmitic acid and linolenyl alcohol were the compounds found in the CN-Dcm extract that exhibited the highest binding affinities with p53-binding protein Mdm-2. These results highlight the potential of as a source of anticancer activities.