Molecular Docking Research
AIRMA conducts interdisciplinary molecular docking and computational pharmacology studies integrating Ayurveda, neuroscience, molecular biology and bioinformatics to explore potential therapeutic mechanisms of natural compounds and neuroactive molecules.
Our ongoing molecular docking initiatives are presently self-funded and are in the stages of conceptual development, computational analysis and scientific manuscript preparation.
Ongoing Research Projects
- Deciphering the Anti-Aging Blueprint of Ayurveda
Project Focus:
In silico multi-target evaluation of Vayasthapana Mahakashaya bioactives against SIRT1 and mTOR pathways associated with aging and longevity.
Research Areas:
- Healthy aging
- Longevity pathways
- Ayurvedic bioactives
- Network pharmacology
Status: Ongoing (Self-Funded)
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- In Silico Evaluation of Propranolol Binding to Dopamine D2 and D4 Receptors: Implications for Modulating Hyperactivity in Autism Spectrum Disorder
Project Focus:
Computational evaluation of propranolol interactions with dopamine receptors associated with hyperactivity and neurobehavioral modulation in autism spectrum disorder.
Research Areas:
- Neuropharmacology
- Dopamine receptor biology
- Autism spectrum disorder
- Molecular docking
Status: waiting for publication (Self-Funded)
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- Comparative Structural Analysis of “Ojas-Enhancing” Ayurvedic Compounds Against Neuro-Inflammatory Cytokine Pathways
Project Focus:
Evaluating Ayurvedic Rasayana compounds against neuro-inflammatory targets including NLRP3 inflammasome, TLR4 and IL-1β associated with neuroinflammation and psychiatric disorders.
Research Areas:
- Neuroinflammation
- Microglial activation
- Molecular docking
- Ayurvedic Rasayana research
Status: Ongoing (Self-Funded)
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- In Silico Blood-Brain Barrier (BBB) Permeability Profiling of “Shirodhara” Herbal Formulations
Project Focus:
Computational analysis of traditional Shirodhara formulations to evaluate blood-brain barrier permeability and receptor interactions associated with anxiety and sleep regulation.
Research Areas:
- Blood-brain barrier transport
- GABA-A receptor interactions
- Sleep neuroscience
- Ayurveda formulations
Status: Ongoing (Self-Funded)
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- Multi-Target Network Pharmacology of Triphala in Gut-Brain Axis Modulation
Project Focus:
Exploring interactions between Triphala phytocompounds, gut microbiota pathways and neuroinflammatory mechanisms associated with Parkinson’s disease.
Research Areas:
- Gut-brain axis
- Neurodegeneration
- Network pharmacology
- Microbiome interactions
Status: Ongoing (Self-Funded)
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- Molecular Dynamics and Computational Interaction Studies of Ayurvedic Neuroprotective Compounds
Project Focus:
Studying structural stability and protein-ligand interactions of neuroprotective phytocompounds using molecular dynamics simulation and computational modelling.
Research Areas:
- Molecular dynamics
- Computational chemistry
- Neuroprotection
- Protein-ligand interaction analysis
Status: Ongoing (Self-Funded)
All projects are currently under active interdisciplinary investigation and manuscript preparation through AIRMA’s independent research initiatives.