Quantum pharmacology for infectious diseases: a molecular connectivity approach.
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.
National Centre for Cell Science, NCCS Complex, Ganeshkhind, Pune University Campus, Pune 411007, India. shailza_iitd@yahoo.com
Shailza
S
Singh
D003141:Communicable Diseases / Q000188:drug therapy; D017076:Computer-Aided Design; D015195:Drug Design; D006801:Humans; D004364:Pharmaceutical Preparations / Q000737:chemistry; D021281:Quantitative Structure-Activity Relationship; D011789:Quantum Theory
D004364:Pharmaceutical Preparations