Assessing novel analogues of nilutamide as a human androgen receptor antagonist: A detailed investigation of drug design using a bioisosteric methodology including ADMET profiling, molecular docking studies and molecular dynamics simulation. - Ajay Kumar Gupta; Yogita Sahu; Dipti Pal; Neeraj Kumar; Sanmati Kumar Jain (Comput. Biol. Chem., 2025)