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pharmacophore mapping

Open Access | High heterogeneity in Plasmodium falciparum risk illustrates the need for detailed mapping to guide resource allocation: a new malaria risk map of the Lao People's Democratic Republic

March 2, 2010 - 10:28 -- Ingeborg van Schayk
Author(s): 
Pernille Jorgensen, Simone Nambanya, Deyer Gopinath, Bouasy Hongvanthong, Kongxay Luangphengsouk, David Bell, Samlane Phompida, Rattanaxay Phetsouvanh
Reference: 
Malaria Journal 2010, 9:59 (24 February 2010)

An important and well written paper with very important public health messages in Laos.

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Medical Condition: 

Open Access | Cell and Molecular Biology: Shape- and Chemical Feature-Based 3D-Pharmacophore Model Generation and Virtual Screening: Identification of Potential Leads for P. falciparum DHFR Enzyme Inhibition

December 17, 2009 - 13:08 -- Patrick Sampao
Author(s): 
Legesse Adane, Dhilon. S. Patel and Prasad V. Bharatam
Reference: 
Chemical Biology & Drug Design, Volume 75 Issue 1, Pages 115 - 126

The hits reported in this article showed good potential to be inhibitors of the above Pf DHFRs based on their (i) best-fit values (ii) binding scores (iii) binding modes and (iv) interactions with the key amino acid residues (Asp54, Ileu/Leu164, Asn/Ser108 and Ile14).

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