⭐ Publications🧪 1. Structure-Based Drug Discovery
A Structure-Based Drug Design Approach for Identifying Antiviral Compounds Targeting the Chikungunya Virus RdRp Protein
Md. Hridoy Ahmed, Gagandeep Singh, Melvin Castrosanto, Alomgir Hossain, Md. Morshedul Islam Rifat, Sadia Hosna Rima, Vandana Gupta, Rajesh K. Kesharwani, Mariusz Jaremko, Abdul-Hamid Emwas, et al.
Chemical Physics Impact, Volume 8, Elsevier (2024), Article 100450
Highlights:
- Designed antiviral candidates through virtual screening and molecular docking
- Performed structural analysis, binding free energy evaluation, and MD simulation
- Identified multi-target compounds with strong RdRp inhibitory potential
- Published in a Q1 Elsevier journal
🧬 2. Immunoinformatics & Vaccine Design
An Immuno-Informatics Approach for Annotation of Hypothetical Proteins and Multi-Epitope Vaccine Design Against the Mpox Virus
Md. Hridoy Ahmed, Gagandeep Singh, Melvin Castrosanto, Prawez Alam, Faizul Azam, et al.
Journal of Biomolecular Structure and Dynamics, Volume 42(10), Taylor & Francis (2023), pp. 5288–5307
Highlights:
- Identified antigenic proteins through proteome-wide immunoinformatics screening
- Designed a multi-epitope vaccine construct targeting Mpox viral proteins
- Performed molecular docking with immune receptors (TLR-4 and MHC alleles)
- Simulated immune responses using computational immunology tools
- Published in a Q1 structural biology journal
Md Hridoy Ahmed, Gagandeep Singh, Melvin Castrosanto, Alomgir Hossain, Md Morshedul Islam Rifat, Sadia Hosna Rima, Vandana Gupta, Rajesh K Kesharwani, Mariusz Jaremko, Abdul-Hamid Emwas, others
Chemical Physics Impact, vol. 8, Elsevier, 2024, p. 100450
, , , , Prawez Alam & Faizul Azam
Journal of Biomolecular Structure and Dynamics, vol. 42(10), 2023, pp. 5288-5307