High-throughput screening is a regular approach available for identitying new lead compounds for the growing validated drug targets in drug screening. However, it has also introduced a large number of peculiar molecules which interfere drug screening. Pan assay interference compounds (PAINS) interfere with the progress of drug screening in various ways, such as interfering with a biochemical assay, modifying the protein, aggregate-based inhibitors and so on. So it is of vital significance to remove them. This paper has consulted the concept, category of PAINS and reviewed the way of PAINS interfering and the countermeasures to cope with them to direct the approach of high through screening and improve the hits percent.
Drug Discovery ; High-Throughput Screening Assays ; methods

The secondary development of major traditional Chinese medicine varieties is one of important links during the modernization, scientification and standardization of traditional Chinese medicines. How to accurately and effectively identify the pharmacodynamic material basis of original formulae becomes the primary problem in the secondary development, as well as the bottleneck in the modernization development of traditional Chinese medicines. On the basis of the existing experimental methods, and according to the study thought that the multi-component and complex effects of traditional Chinese medicine components need to combine multi-disciplinary methods and technologies, we propose the study thought of the material basis of secondary development of major traditional Chinese medicine varieties based on the combination of in vivo and in vitro experiments. It is believed that studies on material basis needs three links, namely identification, screening and verification, and in vivo and in vitro study method corresponding to each link is mutually complemented and verified. Finally, the accurate and reliable material basis is selected. This thought provides reference for the secondary development of major traditional Chinese medicine varieties and studies on compound material basis.
Absorption ; Animals ; Drug Discovery ; methods ; Humans ; Medicine, Chinese Traditional ; methods

Chemogenomics/chemical genomics has been widely used in novel drug research and discovery. Firstly, the concept of chemogenomics was introduced briefly. Secondly, we reviewed the progress of novel drug research and discovery based on forward chemogenomics, reverse chemogenomics and predictive chemogenomics. Finally, we showed progress of the research that chemogenomics has been used to novel drug research and discovery in pharmaceuticals companies.
Animals ; Drug Delivery Systems ; Drug Discovery ; methods ; Drug Industry ; trends ; Genomics ; methods ; Humans ; Pharmacogenetics ; methods

Microwaves can be directly transformed into heat inside materials because of their ability of penetrating into any substance. The degree that materials are heated depends on their dielectric properties. Materials with high dielectric loss are more easily to reach a resonant state by microwaves field, then microwaves can be absorbed efficiently. Microwave irradiation technique with the unique heating mechanisms could induce drug-polymer interaction and change the properties of dissolution. Many benefits such as improving product quality, increasing energy efficiency and reducing times can be obtained by microwaves. This paper summarized characteristics of the microwave irradiation technique, new preparation techniques and formulation process in pharmaceutical industry by microwave irradiation technology. The microwave technology provides a new clue for heating and drying in the field of pharmaceutics.
Chemistry, Pharmaceutical ; methods ; Drug Discovery ; instrumentation ; methods ; Microwaves ; Pharmaceutical Preparations ; administration & dosage ; chemistry ; Technology, Pharmaceutical ; methods

The secondary development of traditional Chinese medicines (TCMs) is an important content of TCM modernization process, as well as an important path for developing new TCM drugs. Under the guidance of the system theory, in response to the lack of the overall guideline and practical methods for the secondary development of TCMs at present, we introduced the overall thought of the secondary development of major TCM varieties, as well as the roles and contents of clinical research, pharmacology and pharmaceutics in the process of the secondary development of major TCM varieties, so as to provide systematic strategies and methods for the development of major TCM varieties.
Biomedical Research ; Drug Discovery ; methods ; Humans ; Medicine, Chinese Traditional ; methods ; Pharmacology

Chinese medicine (CM) pattern diagnosis (Bian zheng or syndrome differentiation), as another patient classification approach, has been incorporated with biomedicine diagnosis in clinical practice in China, and the clinical experience has proven that the integration of biomedicine and CM is better in the treatment of many diseases. CM pattern diagnosis is completely different from the diagnosis in biomedicine, and it must take an active role in innovation for medical sciences. This paper is trying to discuss how CM pattern diagnosis lead to innovations in basic research, clinical research and new drug discovery. Scientific basis of CM pattern in innovation of basic research, clinical efficacy and safety, CM pattern based clinical trial design, CM pattern and clinical practice guideline in innovation of clinical study, CM pattern based indication finding, and CM pattern based network pharmacology in innovation of new drug discovery have been discussed.
Biomedical Research ; methods ; Drug Discovery ; Humans ; Medicine, Chinese Traditional ; methods ; Practice Patterns, Physicians'

Compound libraries and chemical synthesis play important roles in drug discovery and development, and efficient synthetic techniques can greatly facilitate the drug research. This review highlights the application of some efficient synthetic techniques in drug research including microwave chemistry, click chemistry, combinatorial chemistry, cascade reactions and multicomponent reactions, as well as the construction of diverse and drug-like compound libraries.
Click Chemistry ; Combinatorial Chemistry Techniques ; methods ; Drug Discovery ; methods ; Microwaves ; Pharmaceutical Preparations ; chemical synthesis

Chinese medicine stresses the proper use of drugs on conformable patients, and real clinical efficacy of a drug could reveal only in case of the specific indication has been established. The clinical trial in early stage is aimed to find out the efficacy concerning positive or negative factors by comparing the differences between the cases treated effectively and ineffectively. The subsequent clinical trials are carried out to determine the exact effectiveness of a drug based on the establishment of specific indication. The effect of a drug would be elevated following the clearly qualifying of its specific indication. When a new scope is defined for the clinical application of a drug, it could be considered, to a certain degree, as a kind of "new" drug, so, it was suggested that to clarify the specific indication of an existent drug is a new approach for drug discovery.
Drug Discovery ; methods ; Drug Therapy ; Drugs, Chinese Herbal ; analysis ; therapeutic use ; Humans ; Medicine, Chinese Traditional

With the kernel of efficacy, "Xiaohe Silian" was a pattern and method for new drug discovery which was constituted with "metabolism-efficacy, toxicity-efficacy, quality-efficacy and structure-efficacy". Its connotation was in keeping with traditional Chinese medicine (TCM) clinical pharmacy. This paper systematically summarized the research method of new drug discovery practice process for TCM. To avoid western drug like in TCM new drug discovery, we carried out combination analysis with TCM clinical pharmacy. The correlation analysis between basic elements of "Xiaohe Silian(n) and TCM clinical pharmacy was studied to guarantee this method could integrate closely with TCM clinic from all angles. Hence, this method aimed to provide a new method for TCM new drug discovery on the basis of TCM clinical pharmacy with insisting on holistic view of multicomponent study, kinetic view of metabolic process when the curative effect occurred and molecular material view of quality control and structure-activity exposition.
Drug Discovery ; methods ; Drug Therapy ; Drugs, Chinese Herbal ; analysis ; pharmacology ; Humans ; Medicine, Chinese Traditional

Traditional Chinese medicine (TCM) with the characteristics of holistic view and treatment based on syndrome differentiation, has rich clinical experience thousands of years and demonstrates promising effects to cure complex disease. However, due to the features of multi-component, multi-target and synergistic effect existed in TCM, the effective substances and mechanisms of action are not clear, the qualities of TCM are out of control, and scientific and correct assess system is waiting to be established. The network pharmacology is a novel subject based on the construction of multi-layer networks of disease-phenotype-gene-drug to predict the drug targets in a holistic view, and promote efficiency of drug discovery. Methodologically, network pharmacology integrated the notions of comprehensive research and systematic assessment which agree with the characteristics of holistic view and treatment based on syndrome differentiation in Chinese medicine. Our paper reviewed the challenge and chance within the modernization of TCM, the concept and technology of network pharmacology, and its preliminary application in investigation of TCM. The theoretical system of network pharmacology is emphasized, and the potential prospect of its application in modernization in TCM is focused.
Drug Delivery Systems ; methods ; Drug Discovery ; methods ; Drugs, Chinese Herbal ; pharmacology ; Humans ; Medicine, Chinese Traditional ; Neural Networks (Computer) ; Pharmacology ; methods