AutoDockVina (ADV) dockings were performed by user-modified PyRx1.0 package () , as described before 1 . To prepare for ADV, both crystallographic *.pdb protein targets without any ligand and their corresponding NTN children *.sdf files were force-field minimized and chargeconverted to *.pdbqt files. PyRx1.0 OpenBabel were selected choosing the mmff94s (Merck) force-field for energy minimization. The conservation of children molecular geometries were checked by comparing their DW InChiKeys before and after minimization. For ADV docking 45x45x45 Å grids automatically centred into the target proteins was chosen to explore any ADV docking-cavity alternatives. ADV generates rotatable conformers from input ligands and selects those with the lower docking-scores during iterations . The conformer predicting the lowest binding-score is selected for approximated outputs expressed in Kcal/mol. Experimental accuracies of ± 2.8 Kcal/mol are predicted for ADV , while repetition of ADV docking to the same protein target were < 10 % of dockingscores (n=3-10) Computational programs The Build Evolutionary Library (BEL) algorithm using Dock Structures into Docking Cavity of DataWarrior (DW) written in Java were used. DW dw550win.zip for Windows and dw550x.zip for Linus, were downloaded from the 10 August 2023 updates (), following DW guides and our previous work . The Python 3.8 written AutoDockVina (ADV) included in a user-modified PyRx1.0 package () was run for docking-score consensus with DW. ADV docking-score outputs in Kcal/mol were converted to nM Ki by the formula 10 9 *(exp (Kcal/mol/0.592) ). MolSoft (ICM Molbrowser vs3.9Win64bit, ) was used for manipulating the *.sdf files 2 and drawing 2D ligand structures. Origin (OriginPro 2022, 64 bit, Northampton, MA, USA) () was used for calculations and drawings. The predicted structures were visualized in PyRx098/PyRx1.0 (Mayavi), Discover Studio Visualizer v21.1.0.20298 (Dassault Systemes Biovia Corp, 2020, ) and PyMOL2.5.3 (). A multithreading multi-core i9 (47 CPU) AMD Ryzen Threadripper 3960X (PCSpecialist) computer, provided with 64 to 128 Gb of RAM (Corsair Vengeance DDR4, 4 x 16 or 4 x 32 GB) () was used to run the programs.