Open Access Open Access  Restricted Access Subscription or Fee Access

Structure-Based Drug Design for Therapeutic Application

Aruna Singh


Computational methods have paved a long way in identification and characterization of molecules with special reference to drugs, protein molecules and other medicinal purposes. Commonly applied computational techniques include quantitative structure-activity, quantitative structure-property relationships ligand-based drug design and structure-based drug design (drug-target docking). Here, is provided an overview of the structure-based drug designing and its applications.

Keywords: computational methods, docking, drug designing, structure-based drug design

Full Text:



I.M. Kapetanovic. Computer-aided

drug discovery and

development(CADDD): in silicochemico-biological

approach. Chem

Biol Interact. 2008; 171(2): 165–76p.

Computational Methods in Drug

Discovery. Gregory Sliwoski,

Sandeepkumar Kothiwale, Jens

Meiler, and Edward W. Lowe, J

Pharmacol Rev. 2014; 66: 334–95p.

Kitchen DB, Decornez H, Furr JR,

Bajorath J. Docking and scoring in

virtual screening for drug discovery:

methods and applications, Nat Rev

Drug Discov 2004; 3(11): 935–49p.


Chun Meng Song, Shen Jean Limand

Joo Chuan Tong. Recent advances in

computer-aided drug design. Brief

Bioinform. 2009; 10(5): 579–91p


  • There are currently no refbacks.