Multilevel systems biology analysis of lung transcriptomics data identifies key miRNAs and potential miRNA target genes for SARS-CoV-2 infection. - Babajan Banaganapalli; Nuha Al-Rayes; Zuhier Ahmed Awan; Faten A. Alsulaimany; Abdulhakeem S. Alamri; Ramu Elango; Md. Zubbair Malik; Noor Ahmad Shaik (Comput. Biol. Medicine, 2021)

Unveiling a novel ellagic acid derivative as a potent lipoxygenase (LOX) inhibitor: integration of computational modeling and experimental validation. - Wali Ullah; Ghias Uddin; Abdur Rauf; Muhammad Umer Khan; Zuneera Akram; Chaudhry Ahmed Shabbir; Abdulhakeem S. Alamri; Walaa F. Alsanie; Marcello Iriti (J. Comput. Aided Mol. Des., 2025)

Anti-inflammatory potential of Grewialin from Grewia optiva: insights from molecular docking, ADMET, DFT, and in-vitro studies. - Wali Ullah; Ghias Uddin; Abdur Rauf; Muhammad Umer Khan; Zuneera Akram; Chaudhry Ahmed Shabbir; Abdulhakeem S. Alamri; Walaa F. Alsanie; Marcello Iriti (J. Comput. Aided Mol. Des., 2025)