First, structure-based drug discovery, or SBDD, is the method of developing novel medications using knowledge of the three-dimensional form of the target protein to produce small molecules that can precisely bind to particular areas on the surface of the protein and alter its action. Often utilised to identify potential therapeutic candidates in the structure-based medicinal design process are techniques such as virtual screening, molecular dynamics simulations ( ) and molecular docking ( ). Second, ligand-based drug discovery (LBDD) is more concerned with investigating well-known ligands' chemical and structural characteristics that firmly bind to the target protein. By analysing ligand similarities and differences, LBDD techniques-such as pharmacophore-based virtual screening and quantitative structure-activity relationship (QSAR) modelling ( ), can forecast novel compounds with similar biological properties. Third, using either experimental or computational approaches, library design is essentially about identifying molecules with specific pharmacological characteristics among vast collections of chemicals. The last, de novo design ( ) aims, in essence, to create new chemical entities not seen in the natural world before (Figure ). Besides these four conventional approaches, cheminformatics, as the last group, uses computer methods to organise, analyse, and predict chemical data and attributes to identify drug candidates and optimise their efficacy and safety. It streamlines medication design by integrating chemistry and biology to uncover new medicinal molecules faster and more accurately.