Abstract
Infectious diseases are a major cause of global health, economic and social problems. Relationship between the infectious diseases and drugs designed to combat them can be understood by the Quantum Pharmacology approach. Quantum pharmacology which is an amalgamation of chemistry, quantum mechanics and computer modeling aims to understand the structure activity relationship of a drug. As compared to the classical MM, the hybrid QM/MM approach which takes into account the quantum mechanics along with the molecular mechanics facilitates the simulation of biological structures with greater accuracy and speed. This review highlights the importance of quantum mechanics for a better understanding of molecular systems and QSAR studies.
Keywords: Infectious diseases, quantum pharmacology, simulation, QSAR modeling, descriptors, drug design, computer modeling, G proteincoupled receptors, ADMET, topological indices
Related Journals
Anti-Cancer Agents in Medicinal Chemistry
Current Analytical Chemistry
Current Bioactive Compounds
Combinatorial Chemistry & High Throughput Screening
Current Medicinal Chemistry
Central Nervous System Agents in Medicinal Chemistry
Letters in Drug Design & Discovery
Current Drug Discovery Technologies
The Natural Products Journal
Current Catalysis
Related Books
Advances in Organic Synthesis
Frontiers in Natural Product Chemistry
Recent Advances in Analytical Techniques
Advanced Catalysts Based on Metal-organic Frameworks (Part 2)
Ionic Liquids: Eco-friendly Substitutes for Surface and Interface Applications
Alkaloids and Other Nitrogen-Containing Derivatives
Potential Health Benefits of Biologically Active Peptides Derived from Underutilized Grains: Recent Advances in their Isolation, Identification, Bioactivity and Molecular Analysis
Cerium-Based Materials: Synthesis, Properties and Applications
Electrochemical Biosensors in Practice: Materials and Methods
Rare-Earth Metal Hexaborides: Synthesis, Properties, and Applications
31