Computer-aided drug design approaches applied to screen natural product’s structural analogs targeting arginase in Leishmania spp

Computer-aided drug design approaches in developing anti-cancer inhibitors

Computer-Aided Approaches for Targeting HIVgp41

Virus-cell fusion is the primary means by which the human immunodeficiency virus-1 (HIV) delivers its genetic material into the human T-cell host. Fusion is mediated in large part by the viral glycoprotein 41 (gp41) which advances through four distinct conformational states: (i) native, (ii) pre-hairpin intermediate, (iii) fusion active (fusogenic), and (iv) post-fusion. The pre-hairpin interme...

An Overview of Computer Aided Design/Computer Aided Manufacturing (CAD/CAM) in Restorative Dentistry

Objective: To review the current knowledge of CAD/CAM in dentistry and its development in the mentioned field. Sources: An electronic search was conducted across Ovid Medline, complemented by manual search across individual databases, such as Cochrane, Medline and ISI Web of Science databases and Google Scholar for literature analysis on the mentioned topic. The studies were reviewed thoroughly...

Computer-Aided Drug Design Applied to Marine Drug Discovery: Meridianins as Alzheimer’s Disease Therapeutic Agents

Computer-aided drug discovery/design (CADD) techniques allow the identification of natural products that are capable of modulating protein functions in pathogenesis-related pathways, constituting one of the most promising lines followed in drug discovery. In this paper, we computationally evaluated and reported the inhibitory activity found in meridianins A-G, a group of marine indole alkaloids...

Computer Aided Drug Design: A Novel Loom To Drug Discovery

Initially, the design of new drugs was based on the prototypical molecule, usually a natural product and making structural modifications. For designing of new drugs the understanding of the etiology of the disease and the structure of the receptor where the ligand (drug) will bind is very much important. Now a day, there is increasing computational power coupled with applicable software, has le...