Phytochemical Profiling, Anti-Inflammatory, Anti-Oxidant and In-Silico Approach of Cornus macrophylla Bioss (Bark).
Ali KhanAini PervaizBushra AnsariRiaz UllahSyed Muhammad Mukarram ShahHaroon KhanMuhammad Saeed JanFida HussainMuhammad Ijaz Khan KhattakGhadeer M AlbadraniAhmad Essam AltyarMohamed M Abdel-DaimPublished in: Molecules (Basel, Switzerland) (2022)
The objective of the current study was to evaluate the phytochemical and pharmacological potential of the Cornus macrophylla . C. macrophylla belongs to the family Cornaceae. It is locally known as khadang and is used for the treatment of different diseases such as analgesic, tonic, diuretic, malaria, inflammation, allergy, infections, cancer, diabetes, and lipid peroxidative. The crude extract and different fractions of C. macrophyll were evaluated by gas chromatography and mass spectroscopy (GC-MS), which identified the most potent bioactive phytochemicals. The antioxidant ability of C. macrophylla was studied by 2,2'-azino-bis-3-ethylbenzthiazoline-6-sulfonic acid (ABTS) and 1,1 diphenyl-2-picryl-hydrazyl (DPPH) methods. The crude and subsequent fractions of the C. macrophylla were also tested against anti-inflammatory enzymes using COX-2 (Cyclooxygenase-2) and 5-LOX (5-lipoxygenase) assays. The molecular docking was carried out using molecular operating environment (MOE) software. The GC-MS study of C. macrophylla confirmed forty-eight compounds in ethyl acetate (Et.AC) fraction and revealed that the Et.AC fraction was the most active fraction. The antioxidant ability of the Et.AC fraction showed an IC 50 values of 09.54 μg/mL and 7.8 μg/mL against ABTS and DPPH assay respectively. Among all the fractions of C. macrophylla , Et.AC showed excellent activity against COX-2 and 5-LOX enzyme. The observed IC 50 values were 93.35 μg/mL against COX-2 and 75.64 μg/mL for 5-LOX respectively. Molecular docking studies supported these in vitro results and confirmed the anti-inflammatory potential of C. macrophylla. C. macrophylla has promising potential as a source for the development of new drugs against inflammation in the future.
Keyphrases
- anti inflammatory
- molecular docking
- oxidative stress
- molecular dynamics simulations
- mass spectrometry
- gas chromatography
- cardiovascular disease
- type diabetes
- high throughput
- single molecule
- adipose tissue
- metabolic syndrome
- heart failure
- single cell
- squamous cell carcinoma
- insulin resistance
- nitric oxide
- ionic liquid
- current status
- combination therapy
- spinal cord
- squamous cell
- atrial fibrillation
- high resolution mass spectrometry
- liquid chromatography
- low density lipoprotein