Protein crystallography has become a mainstream analytical method supporting the field of medicinal chemistry. Specific work on proteases that are instrumental in the discovery of lead compounds has flourished over the last two decades as the need for co-crystallization of target proteins with small molecules is seeing a dramatic increase now that their use in drug design has become fully evident. Work on phosphorus-cleaving and donating enzymes (kinases and phosphatases) has also become an area of ​​current interest as a potential cancer therapy as it affects energy yield in a tumor cell through disruption of ATP generation. “The use of protein crystallography is very influential in structure-guided drug design as researchers can help determine the absolute stereochemistry of a compound and alter it if necessary to favor the necessary binding conformation”3. Co-crystals: Pharmaceutical Significance: Co-crystals have emerged in medicinal chemistry as an important and controversial topic. Although there is disagreement over the definition of what is classified as co-crystals, their importance in medicinal chemistry and X-ray crystallography is noted. Co-crystals are believed to be a crystalline structure of at least two components composed of atoms, molecules or ions. These components form a single unique crystalline structure and have proven to be very useful in vitro as a drug delivery system. Pharmaceutical Progress: Numerous advances in the design, growth, and characterization of co-crystals have increased exponentially over the past decades. It has only been in recent years, however, that reference to medicinal chemistry has begun to flourish as the discovery that... middle of paper... surpasses all stages of the discovery process. “One such computational approach that can go hand in hand with major drug discovery steps such as “hit identification” and “hit-to-lead”; the initial phase involves identifying a list of chemical compounds, known as “hits,” that ideally exhibit some degree of potency and specificity to the target. The latter, however, undertakes to evaluate the selected results to identify promising lead molecules before proceeding towards large-scale lead optimization”7. With drug design rapidly evolving into a science that aims to reduce discovery times and outcomes, a conglomerate of different methods is being brought together to assist in “outcome identification”. The use of bioinformaticians, systems biologists, and computational clustering methods has enabled researchers to validate desired biological targets at a lightning-fast pace.