Structure–Activity Relationships within Pharmaceutical Interactions and the Discovery of Molecular Targets
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Pharmacology".
Deadline for manuscript submissions: 20 April 2025 | Viewed by 158
Special Issue Editor
Interests: computational toxicology; pharmacokinetics; pharmacovigilance
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Pharmaceutical interaction is a broad concept that encompasses all interactions between drugs and between drugs and molecules in the body. This Topic focuses on the structure–activity relationships within drug and bioactive substance interactions and molecular target discovery. Drug interactions are important in understanding how drugs interact and influence each other in vivo. Structure–activity relationship studies aim to elucidate the relationship between the structure and the biological activity of compounds that bind to specific molecular targets. This Topic aims to provide new insights into the mechanisms of drug interactions and the identification of target molecules using state-of-the-art research methods and techniques. This is expected to contribute to the development of more effective drugs and the prevention of adverse drug reactions.
Prof. Dr. Yoshihiro Uesawa
Guest Editor
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Keywords
- molecular dynamics
- docking simulation
- QSAR
- moleular initiating event
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