The Ligand-Based drug design of Anthelminthic using Benzaldehyde as starting material via Pharmacophore modelling approach

Dayana Adlin, Darmis (2015) The Ligand-Based drug design of Anthelminthic using Benzaldehyde as starting material via Pharmacophore modelling approach. [Final Year Project Report] (Unpublished)

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Abstract

Helminthic infection causes malnutrition, growth stunting, intellectual retardation and cognitive as well as educational deficiencies. Nowadays, helminths begin to show resistance towards some of most established anthelminthic drugs. So, it is significant to produce a new mimicry drug from the existing drug to reduce the resistance of these helminths. Drug were synthesized using trial and error method before the computational method which is time and budget consuming. Pharmacophore medolling is one of the modern computational method developed on early 1900’s by Paul Enrich to assist and to enhance the drug development process. LigandScout 3.1 software by intelligand.com was used in the research to show the alignment and merging of the active site of the drug to inhibit the activity of the helminths. The synthesis of the test sets were done by Schiff base reaction and the characterization of the pure compound was done using TLC, FTIR, and NMR analysis. The cytotoxicity test was carried out to test the toxicity level of compound along with the anthelminthic bioassay to test the efficiency of the compound activity.

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