https://github.com/bibymaths/poster_nscb16
Identification of Potential Lead Molecule for Schizophrenia Through Docking-Based Approach
https://github.com/bibymaths/poster_nscb16
computational-chemistry docking schizophrenia
Last synced: about 1 month ago
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Identification of Potential Lead Molecule for Schizophrenia Through Docking-Based Approach
- Host: GitHub
- URL: https://github.com/bibymaths/poster_nscb16
- Owner: bibymaths
- License: mit
- Created: 2025-01-18T19:39:41.000Z (about 1 year ago)
- Default Branch: main
- Last Pushed: 2025-03-19T01:24:03.000Z (12 months ago)
- Last Synced: 2025-03-19T02:29:44.778Z (12 months ago)
- Topics: computational-chemistry, docking, schizophrenia
- Homepage:
- Size: 3.98 MB
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0
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Metadata Files:
- Readme: README.md
- License: LICENSE
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README
# Identification of Potential Lead Molecule for Schizophrenia Through Docking-Based Approach
This repository hosts materials related to the project conducted as part of the **Computer-Aided Drug Design** module at **Jaypee University of Information Technology (JUIT), Solan, India**.
## Project Overview
This project focused on utilizing molecular docking techniques to identify potential lead molecules targeting the DDR3 receptor, implicated in schizophrenia. The study combined computational tools with drug design methodologies to propose novel compounds for therapeutic exploration.
The work was presented as a poster at the **National Symposium on Current Scenario in Biological Sciences (NSCSB)** and won the **3rd Prize in Poster Presentation**. The research was supervised by **Dr. Chittaranjan Rout (Deceased, 2019)**.
## Timeline
- **Start:** August 2015
- **Completion:** March 2016
## Key Achievements
- Identified lead molecules for DDR3 in schizophrenia using docking-based approaches.
- Presented the findings in a poster, earning recognition at NSCSB.
## Repository Content
The project files are accessible via the following link:
[Project Files on Google Drive](https://drive.google.com/drive/folders/0B4ld_4Qp0OwmNTNDbWlMMWE5WWM?resourcekey=0-SZi0g2h_kMrH80kG50Vtgw&usp=sharing)
### Contents Include:
1. **Input Files**: Molecular structures and docking configurations.
2. **Docking Results**: Output data from docking simulations.
3. **Poster PDF**: Presentation material for the NSCSB symposium.
4. **Scripts**: Automation scripts used in docking analyses (if applicable).
## Tools and Software
- **Molecular Docking Software**: Specific software utilized in the study (details in project files).
- **Visualization Tools**: Tools used to analyze and visualize docking results.
## Citation
If using this work, please cite the following poster presentation:
**"Identification of Potential Lead Molecule for Schizophrenia Through Docking-Based Approach"**, presented at NSCSB, 2016.
## Acknowledgments
- **Dr. Chittaranjan Rout** (Supervisor, Deceased 2019)
For his invaluable guidance and mentorship.
- **JUIT, Solan, India**
For providing resources and support for this research.
## License
This project is released under the MIT License. Refer to the `LICENSE` file for details.
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For inquiries or further information, feel free to contact:
**Abhinav Mishra**
[mishraabhinav36@gmail.com](mailto:mishraabhinav36@gmail.com)