Related Experiment Video
Updated: Feb 22, 2026

Focused Ultrasound Induced Blood-Brain Barrier Opening for Targeting Brain Structures and Evaluating Chemogenetic Neuromodulation
Published on: December 22, 2020
Applications of Multi-Target Computer-Aided Methodologies in Molecular Design of CNS Drugs
Oleg A Raevsky1, Azat Mukhametov1, Veniamin Y Grigorev1
1Department of Computer-Aided Molecular Design, Institute of Physiologically Active Compounds, Russian Academy of Science, 142432, Chernogolovka, Moscow Region, Russian Federation.
Abstract:
The discovery of drugs for diseases of the central nervous system (CNS) faces high attrition rates in clinical trials. Neural diseases are extremely complex in nature and typically associated with multiple drug targets. A conception of multi-target directed ligands (MTDL), widely applied to the discovery of cancer pharmaceuticals, may be a perspective solution for CNS diseases. Special bioinformatics approaches have been developed which can assist the medicinal chemists in identification and structural optimization of MTDL. In this review, we analyze the current status of the development of multitarget approaches in quantitative structure-activity relationships (mt-QSAR) for CNS drug discovery; and describes applications of multi-target approaches in molecular modelling (which can be called mt-MM), as well as perspectives for multi-target approaches in bioinformatics in relation to Alzheimer's disease.
More Related Videos
Related Concept Videos
Structure-Activity Relationships and Drug Design
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence...
Targets for Drug Action: Overview
Receptors are either membrane-spanning or intracellular proteins, which upon binding a ligand, get activated and transmit the signal downstream to elicit a response. Drugs bind receptors, either mimicking the action of endogenous ligands or blocking the receptor activity to bring about a modified response. Nearly 35% of approved drugs target the G...
Drug Discovery: Overview
Modified-Release Drug Delivery Systems: Site-Targeted
Pharmacogenomics: Identification of New Drug Targets

