Exploring spirocyclic isoquinoline-piperidine compounds in tuberculosis therapy: ADMET profiling, docking, DFT, MD simulations, and MMGBSA analysis. - Sri Mounika Bellapukonda; Siva Singothu; Anuradha Singampalli; Rani Bandela; Pardeep Kumar; Venkata Madhavi Yaddanapudi; Vasundhra Bhandari; Srinivas Nanduri; Mohamed Enneiymy; Mohamed Fahad AlAjmi; Ali Oubella (Comput. Biol. Chem., 2025)