Quick Guideline for Computational Drug Design (Revised Edition)

: The search for novel drugs that can prevent or control Alzheimer’s disease has attracted lot of attention from researchers across the globe. Phytochemicals are increasingly being used to provide scaffolds to design drugs for AD. In silico techniques, have proven to be a game-changer in this drug design and development process. In this review, the authors have focussed on current advances in the field of in silico medicine, applied to phytochemicals, to discover novel drugs to prevent or cure AD. After giving a brief context of the etiology and available drug targets for AD, authors have discussed the latest advances and techniques in computational drug design of AD from phytochemicals. Some of the prototypical studies in this area are discussed in detail. In silico phytochemical analysis is a tool of choice for researchers all across the globe and helps integrate chemical biology with drug design.

Download Full-text

Investigating Recurrent Neural Networks for Feature-Less Computational Drug Design

Artificial Neural Networks and Machine Learning – ICANN 2016 - Lecture Notes in Computer Science ◽

10.1007/978-3-319-44778-0_17 ◽

2016 ◽

pp. 140-148

Author(s):

Alexander Dörr ◽

Sebastian Otte ◽

Andreas Zell

Keyword(s):

Neural Networks ◽

Drug Design ◽

Recurrent Neural Networks ◽

Computational Drug Design

Download Full-text

Computational approaches for the discovery of natural pancreatic lipase inhibitors as antiobesity agents

Future Medicinal Chemistry ◽

10.4155/fmc-2019-0284 ◽

2020 ◽

Vol 12 (8) ◽

pp. 741-757

Author(s):

Ihab M Almasri

Keyword(s):

Drug Design ◽

Pancreatic Lipase ◽

Drug Research ◽

Fat Absorption ◽

Computer Aided Drug Design ◽

Computational Drug Design ◽

Intestinal Fat Absorption ◽

Antiobesity Agents ◽

Pancreatic Lipase Inhibitors ◽

Antiobesity Drugs

Obesity is becoming one of the greatest threats to global health in the 21st century and therefore the development of novel antiobesity drugs is one of the top priorities of global drug research. An important treatment strategy includes the reduction of intestinal fat absorption through the inhibition of pancreatic lipase (PL). Natural products provide a vast pool of PL inhibitors with novel scaffolds that can possibly be developed into clinical products. Computational drug design methods have become increasingly invaluable in the drug discovery process. In recent years, the discovery of new antiobesity PL inhibitors has been facilitated by the application of computational methods. This review highlights some computer-aided drug design techniques utilized in the discovery of natural PL inhibitors.

Download Full-text