THE FUTURE OF DRUG AND FORMULATION INNOVATION: AI-DRIVEN STRUCTURE-BASED DE NOVO DESIGN PARADIGMS

The time-intensive structure-based computer-aided drug design (SB-CADD) is becoming more important due to the growing quantity of known and projected protein structures and drug-like "make-on-demand" libraries. As a result, new computing techniques are needed. The application of in silico heuristics in de novo drug creation speeds up the investigation of the enormous chemical space. This paper covers the newest breakthroughs in structure-based de novo drug production, including deep generative models, evolutionary algorithms, Metropolis Monte Carlo methods, and classic fragment-based approaches. We would like to draw attention to the efforts made to make each category more synthetically accessible and the benchmarking methodologies utilized to validate the proposed frameworks in light of the previous difficulties in de novo drug creation producing easily accessible drug-like compounds. Recent years have seen tremendous progress in pharmaceutics thanks to new technology, innovative drug delivery systems, and a better knowledge of the physicochemical characteristics of pharmaceuticals. Topics covered in this overview include new drug delivery technologies, formulation tactics, and general pharmaceutics trends. Precise control over medication release and targeting is achieved with advanced drug delivery technologies, such as stimuli-responsive platforms and nano-based carriers. Solid dispersion technology and lipid-based formulations are two examples of formulation technologies that improve the solubility and bioavailability of drugs. Natural polymers for sustainable drug delivery, pharmacogenomics for individualized therapy, and continuous production are the new frontiers. Innovation in pharmaceutical formulations is being spurred by the integration of interdisciplinary techniques, especially in the fields of nanotechnology and biotechnology. The pharmaceutics industry is poised for revolutionary change as a result of these developments, which have the potential to boost treatment effectiveness, increase patient compliance, and solve urgent medical problems.