Md. Imtaiyaz Hassan

According to our database, Md. Imtaiyaz Hassan authored at least 12 papers between 2011 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2026

Structure-based drug repurposing reveals ponatinib and lapatinib as stable inhibitors of Aurora kinase B: Mechanistic insights from high-resolution molecular dynamics and free-energy analyses.

Gulam Mustafa Hasan, Ramesh Thiyagarajan, Taj Mohammad, Md. Imtaiyaz Hassan

Comput. Biol. Chem., 2026

Phytochemicals as potential AXL inhibitors for cancer therapy: A computational study.

Abdelbaset Mohamed Elasbali, Afnan Elayyan Mousa Elayyan, Salem Hussain Alharethi, Taj Mohammad, Md. Imtaiyaz Hassan

Comput. Biol. Chem., 2026

Next-generation computational strategies for neurodegenerative biomarkers: Multi-omics integration, AI, and molecular modeling.

Pravej Alam, Gulam Mustafa Hasan, Taj Mohammad, Md. Imtaiyaz Hassan

Comput. Biol. Chem., 2026

2025

Structure-guided discovery of microtubule affinity-regulating kinase 4 inhibitory potential of Harmane: towards therapeutic targeting of Alzheimer's disease.

Afzal Hussain, Md. Nayab Sulaimani, Shumayila Khan, Saleha Anwar, Mohammed F. Hawwal, Mohamed F. Alajmi, Dharmendra Kumar Yadav, Md. Imtaiyaz Hassan

J. Comput. Aided Mol. Des., December, 2025

Inhibition potential of margolonone and isomargolonone against the dengue virus protease using molecular modeling approaches.

Gourav Choudhir, Faiza Iram, Israil, Mohammad Shahid, Anas Shamsi, Md. Imtaiyaz Hassan, Asimul Islam

Frontiers Bioinform., 2025

2024

Investigating pH-induced conformational switch in PIM-1: An integrated multi spectroscopic and MD simulation study.

Aanchal Rathi, Saba Noor, Shama Khan, Faizya Khan, Farah Anjum, Anam Ashraf, Aaliya Taiyab, Asimul Islam, Md. Imtaiyaz Hassan, Mohammad Mahfuzul Haque

Comput. Biol. Chem., 2024

2021

InstaDock: A single-click graphical user interface for molecular docking-based virtual high-throughput screening.

Taj Mohammad, Yash Mathur, Md. Imtaiyaz Hassan

Briefings Bioinform., 2021

2020

Classification and functional analyses of putative virulence factors of <i>Mycobacterium tuberculosis</i>: A combined sequence and structure based study.

Mohd. Shahbaaz, Vladimir Potemkin, Krishna Bisetty, Md. Imtaiyaz Hassan, Mostafa A. Hussien

Comput. Biol. Chem., 2020

2019

2/3D-QSAR, molecular docking and MD simulation studies of <i>FtsZ</i> protein targeting benzimidazoles derivatives.

Shahzaib Ahamad, Asimul Islam, Faizan Ahmad, Neeraj Dwivedi, Md. Imtaiyaz Hassan

Comput. Biol. Chem., 2019

2016

Functional annotation of putative conserved proteins from Borrelia burgdorferi to find potential drug targets.

Shama Khan, Mohammad Sarwar Jamal, Farah Anjum, Mahmood Rasool, Abulaish Ansari, Asimul Islam, Faizan Ahmad, Md. Imtaiyaz Hassan

Int. J. Comput. Biol. Drug Des., 2016

2015

In silico approaches for the identification of virulence candidates amongst hypothetical proteins of Mycoplasma pneumoniae 309.

Mohd. Shahbaaz, Krishna Bisetty, Faizan Ahmad, Md. Imtaiyaz Hassan

Comput. Biol. Chem., 2015

2011

Discovering a potent small molecule inhibitor for gankyrin using de novo drug design approach.

Prasoon Kumar Thakur, Md. Imtaiyaz Hassan

Int. J. Comput. Biol. Drug Des., 2011