Medicine Chemistry in Drug Discovery

Inventing a new drug is a complex, time-consuming, costly and risky process. Medicinal chemistry is a combination of highly intersecting disciplines such as computational science, biochemistry, and human medicine. This effective combination lays the foundation for the safe and effective preparation of drugs. As a pioneer and global leader in drug research, Creative Biolabs proudly provides medicinal chemistry-related services to accelerate your new drug exploration projects.

Introduction of Medicine Chemistry

The discipline relies on synthetic chemistry that can combine small molecules to create new molecules. The tasks of medicinal chemistry include studying the structure, properties, and changing laws of drugs, as well as understanding the physiological and biochemical effects of drugs on humans. Other areas of science focus on molecular analysis and testing, while medicinal chemistry focuses on molecular design. Scientists can also improve existing drugs by optimizing the structure of molecules. These adjustments can make it easier for drugs to work, thereby providing patients with higher-quality and effective treatment results. The creation of new drugs is an exploratory system engineering involving multiple disciplines, and the discovery of precursors based on medicinal chemistry is the prerequisite for subsequent research. Therefore, it is in the leading position in the field of pharmaceutical sciences.

Drug development process. Fig.1 Drug development process. (Sanna, 2020)


Medicinal chemistry is a fusion result, among which biology, computer technology, and medicinal chemistry are the main components of this field. It plays a key role in drug synthesis and design. In fact, medicinal chemistry can synthesize new entities to ensure they are appropriate for therapy. It also includes studying the synthesis and calculation aspects of drugs as well as their biological activities. The most worth mentioning is that these effective technologies focus on the quality of the drug and aim to ensure that they are suitable for the medical field which laid the foundation for the evolution of drugs.

Common Methods

The drug discovery process is related to a variety of technologies. Medicinal chemistry involves extensive fields in the drug prospecting process, such as screening libraries, lead discovery, and computer-aided drug discovery. High-throughput screening, hit identification, hit to lead, lead optimization, chemical resynthesize are the most important medicinal chemistry methods of lead discovery while compound docking, virtual screening, activity prediction, and quantitative structure-activity relationships prediction are widely used in computer-aided drug discovery. In addition to the technologies mentioned above, more technologies are gradually emerging. In the near future, this subject will become more and more abundant.

In the past few decades, many changes have taken place in the process of drug advancement. The prospect of medicinal chemistry is promising, and it will continue to be an effective tool for drug discovery. In short, the main task of these technologies is to explore new healthful drugs, which is also the driving force for the promotion of the discipline. Creative Biolabs is always dedicated to assisting our clients with the most satisfactory medicine chemistry-related services. If you are interested in new drug research, please feel free to contact us for more details.


  1. Sanna, V.; Sechi, M. Therapeutic potential of targeted nanoparticles and perspective on nanotherapies. ACS medicinal chemistry letters. 2020, 11(6): 1069-1073.
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