| Chapter title |
Prediction and Optimization of Pharmacokinetic and Toxicity Properties of the Ligand
|
|---|---|
| Chapter number | 14 |
| Book title |
Computational Drug Discovery and Design
|
| Published in |
Methods in molecular biology, January 2018
|
| DOI | 10.1007/978-1-4939-7756-7_14 |
| Pubmed ID | |
| Book ISBNs |
978-1-4939-7755-0, 978-1-4939-7756-7
|
| Authors |
Douglas E. V. Pires, Lisa M. Kaminskas, David B. Ascher, Pires, Douglas E. V., Kaminskas, Lisa M., Ascher, David B. |
| Abstract |
A crucial factor for the approval and success of any drug is how it behaves in the body. Many drugs, however, do not reach the market due to poor efficacy or unacceptable side effects. It is therefore important to take these into consideration early in the drug development process, both in the prioritization of potential hits, and optimization of lead compounds. In silico approaches offer a cost and time-effective approach to rapidly screen and optimize pharmacokinetic and toxicity properties. Here we demonstrate the use of the comprehensive analysis system pkCSM, to allow early identification of potential problems, prioritization of hits, and optimization of leads. |
Mendeley readers
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 73 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Bachelor | 12 | 16% |
| Researcher | 6 | 8% |
| Student > Ph. D. Student | 6 | 8% |
| Student > Master | 4 | 5% |
| Student > Doctoral Student | 4 | 5% |
| Other | 4 | 5% |
| Unknown | 37 | 51% |
| Readers by discipline | Count | As % |
|---|---|---|
| Pharmacology, Toxicology and Pharmaceutical Science | 8 | 11% |
| Chemistry | 8 | 11% |
| Biochemistry, Genetics and Molecular Biology | 5 | 7% |
| Agricultural and Biological Sciences | 4 | 5% |
| Unspecified | 3 | 4% |
| Other | 4 | 5% |
| Unknown | 41 | 56% |