Title:Phytochemical Profiling and Molecular Investigation of Moringa Oleifera Lam. Leaves for Anti-Arthritic Potential: Assessment and Identification of Phytopharmaceuticals through GC-MS Analysis, In Silico Study, ADMET Analysis, and In Vitro Evaluation
Volume: 13
Issue: 3
Author(s): Aanjaneya Mamgain, Rameshroo Kenwat and Rishi Paliwal*
Affiliation:
- Nanomedicine and Bioengineering Research Laboratory, Department of Pharmacy, Indira Gandhi National Tribal University, Amarkantak, MP, 484887, India
Keywords:
Moringa oleifera, GC-MS, molecular docking, ADME/T, anti-arthritic activity, gas chromatography-mass spectrometry.
Abstract:
Background: The drumstick tree, Moringa oleifera Lam. (family Moringaceae), is
known as a magical plant due to its broad pharmacological activities. Traditionally, the leaves of
this plant are used for anti-inflammatory action. However, the compounds in Moringa oleifera
leaves and their mechanism that show anti-arthritic potential are unknown.
Methods: In this study, a preliminary phytochemical investigation of Moringa oleifera leaves ethanolic
extract was conducted using qualitative analysis followed by Gas Chromatography-Mass
Spectrometry (GC-MS) analysis to determine the constituents in the extracts.
Results: The results indicated the presence of various phytochemical compounds (about 316). Out
of these, about 16 compounds were identified that covered 54.63 % of the total ethanolic extract.
A molecular docking study was further performed using selected two compounds i.e. 3, 7, 11, 15-
tetramethylhexadec-2-en-1-ol and neophytadiene and different targets proteins MMP9 (1L6J),
PGE2 (1Z9H), TLR-1-TLR-2 (2Z80), COX-II (3NT1 and 5F19), iNOS (3NW2), HtrA1 (3TJO),
JAK-1 (4K6Z), MCSF (5LXF) and TLR-4 (5NAO). Later on, an online tool was used to perform
ADME/T analysis of the identified compounds. The DPPH and ABTS assay confirmed the strong
potential of this extract for antioxidant activity, which correlates with anti-arthritic potential.
Conclusion: Based on molecular docking, the mechanism for these compounds for the anti-arthritic
activity of these magical plant leaves was identified. It is concluded from the study that Moringa
oleifera leaves ethanolic extract have potential compounds that may be used to develop more effective
formulations for better therapeutic exercise against inflammatory diseases like rheumatoid
arthritis.
