Recent Updates on Computer-aided Drug Discovery: Time for a Paradigm Shift. 2017

Talambedu Usha, and Dhivya Shanmugarajan, and Arvind Kumar Goyal, and Chinaga Suresh Kumar, and Sushil Kumar Middha
Department of Biochemistry, Bangalore University, Bengaluru, Karnataka, India.

Computer-Aided Drug Designing (CADD) has gained a wide popularity among biologists and chemists as a part of interdisciplinary drug discovery approach. It plays a vital role in the discovery, design and analysis of drugs in pharmaceutical industry. It is extensively used to reduce cost, time and speed up the early stage development of biologically new active molecules. In the current review we presented a brief review of CADD, merits and demerits, DNA, protein and enzyme as targets, types of CADD: Structure Based Drug Designing (SBDD), Ligand Based Drug Designing (LBDD), Pharmacophore based drug designing (PBDD) and Fragment Based Drug Designing (FBDD), theory behind the types of CADD and their applications. The review also focuses on the in-silico pharmokinetic, pharmacodynamic and toxicity filters or predictions that play a major role in identifying the drug like molecules. Currently in pharmaceutical sciences computational tools and software are exhibiting imperative role in the different stages of drug discovery hence the review throws light on various commercial and freeware available for each step of CADD.

UI MeSH Term Description Entries
D004364 Pharmaceutical Preparations Drugs intended for human or veterinary use, presented in their finished dosage form. Included here are materials used in the preparation and/or formulation of the finished dosage form. Drug,Drugs,Pharmaceutical,Pharmaceutical Preparation,Pharmaceutical Product,Pharmaceutic Preparations,Pharmaceutical Products,Pharmaceuticals,Preparations, Pharmaceutical,Preparation, Pharmaceutical,Preparations, Pharmaceutic,Product, Pharmaceutical,Products, Pharmaceutical
D006801 Humans Members of the species Homo sapiens. Homo sapiens,Man (Taxonomy),Human,Man, Modern,Modern Man
D000818 Animals Unicellular or multicellular, heterotrophic organisms, that have sensation and the power of voluntary movement. Under the older five kingdom paradigm, Animalia was one of the kingdoms. Under the modern three domain model, Animalia represents one of the many groups in the domain EUKARYOTA. Animal,Metazoa,Animalia
D012984 Software Sequential operating programs and data which instruct the functioning of a digital computer. Computer Programs,Computer Software,Open Source Software,Software Engineering,Software Tools,Computer Applications Software,Computer Programs and Programming,Computer Software Applications,Application, Computer Software,Applications Software, Computer,Applications Softwares, Computer,Applications, Computer Software,Computer Applications Softwares,Computer Program,Computer Software Application,Engineering, Software,Open Source Softwares,Program, Computer,Programs, Computer,Software Application, Computer,Software Applications, Computer,Software Tool,Software, Computer,Software, Computer Applications,Software, Open Source,Softwares, Computer Applications,Softwares, Open Source,Source Software, Open,Source Softwares, Open,Tool, Software,Tools, Software
D017076 Computer-Aided Design The use of computers for designing and/or manufacturing of anything, including drugs, surgical procedures, orthotics, and prosthetics. CAD-CAM,Computer-Aided Manufacturing,Computer-Assisted Design,Computer-Assisted Manufacturing,Computer Aided Design,Computer Aided Manufacturing,Computer Assisted Design,Computer Assisted Manufacturing,Computer-Aided Designs,Computer-Assisted Designs,Design, Computer-Aided,Design, Computer-Assisted,Designs, Computer-Aided,Designs, Computer-Assisted,Manufacturing, Computer-Aided,Manufacturing, Computer-Assisted
D055808 Drug Discovery The process of finding chemicals for potential therapeutic use. Drug Prospecting,Discovery, Drug,Prospecting, Drug

Related Publications

Talambedu Usha, and Dhivya Shanmugarajan, and Arvind Kumar Goyal, and Chinaga Suresh Kumar, and Sushil Kumar Middha
May 2000, Current opinion in drug discovery & development,
Talambedu Usha, and Dhivya Shanmugarajan, and Arvind Kumar Goyal, and Chinaga Suresh Kumar, and Sushil Kumar Middha
January 2023, Current topics in medicinal chemistry,
Talambedu Usha, and Dhivya Shanmugarajan, and Arvind Kumar Goyal, and Chinaga Suresh Kumar, and Sushil Kumar Middha
January 2015, F1000Research,
Talambedu Usha, and Dhivya Shanmugarajan, and Arvind Kumar Goyal, and Chinaga Suresh Kumar, and Sushil Kumar Middha
January 2019, Current pharmaceutical design,
Talambedu Usha, and Dhivya Shanmugarajan, and Arvind Kumar Goyal, and Chinaga Suresh Kumar, and Sushil Kumar Middha
December 2021, Drug discovery today. Technologies,
Talambedu Usha, and Dhivya Shanmugarajan, and Arvind Kumar Goyal, and Chinaga Suresh Kumar, and Sushil Kumar Middha
January 2016, Biopolymers,
Talambedu Usha, and Dhivya Shanmugarajan, and Arvind Kumar Goyal, and Chinaga Suresh Kumar, and Sushil Kumar Middha
May 2001, Mini reviews in medicinal chemistry,
Talambedu Usha, and Dhivya Shanmugarajan, and Arvind Kumar Goyal, and Chinaga Suresh Kumar, and Sushil Kumar Middha
September 2023, Drug research,
Talambedu Usha, and Dhivya Shanmugarajan, and Arvind Kumar Goyal, and Chinaga Suresh Kumar, and Sushil Kumar Middha
January 2023, Anti-inflammatory & anti-allergy agents in medicinal chemistry,
Talambedu Usha, and Dhivya Shanmugarajan, and Arvind Kumar Goyal, and Chinaga Suresh Kumar, and Sushil Kumar Middha
January 2024, Methods in molecular biology (Clifton, N.J.),
Copied contents to your clipboard!