Drug Design II
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".
Deadline for manuscript submissions: closed (31 August 2021) | Viewed by 13892
Special Issue Editor
Interests: medicinal chemistry; drug discovery and development; organic synthesis; drug design; drug resistance; antimicrobials; natural products; peptides
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues
Thanks to the very positive response to the first Special Issue on Drug Design, I am pleased to launch the second edition on this exciting subject.
The severe challenges that our healthcare systems are currently facing remind us of how important it is to be able to develop targeted medicines. Fortunately, we have made significant progress in our capability for a targeted design of specific drug properties on a broad front: fine-tuning of potency and selectivity or pharmacokinetic properties have become possible because of collaborative research efforts in academia and industry.
Drug design is a central component in the drug discovery and development process in order to provide pharmacologically active substances with defined functionality. This highly creative process appeals to chemists and biologists alike. The molecular repertoire ranges from classical small molecules to large molecules such as antibodies and biologics.
This second Special Edition aims to bring together medicinal chemistry, molecular modeling, synthetic chemistry, and the pharmaceutical and biological disciplines involved in the multidisciplinary endeavor of drug research to identify and discuss state-of-the-art research into new ways of designing safe and effective medicines.
Original research articles and reviews addressing the topics listed below are particularly welcome.
I look forward to your contribution!
Prof. Dr. Rainer Riedl
Guest Editor
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Keywords
- Drug discovery
- Lead optimization
- Clinical candidate development
- Molecular modelling
- De novo drug design
- Structure-based drug design
- Ligand-based drug design
- Computer-aided drug design
- ADMET
- Pharmacophores
- Polypharmacology
- Chemical biology
- Protein–protein interactions
- Small molecule drugs
- Antibodies
- Protein–drug conjugates (ADCs/PDCs)
- Fragment-based drug discovery
- Structure–activity relationships
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