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2D-quantitative structure-activity relationships model using PLS method for anti-malarial activities of anti-haemozoin compounds.

Phuong Thuy Viet NguyenTruong Van DatShusaku MizukamiDuy Le Hoang NguyenFarhana MosaddequeSon Ngoc KimDuy Hoang Bao NguyenOanh Thi ĐinhTu Linh VoGiang Le Tra NguyenCuong Quoc DuongSatoshi MizutaDao Ngoc Hien TamM Phuong TruongNguyen Tien HuyKenji Hirayama
Published in: Malaria journal (2021)
The model is capable of predicting the anti-malarial activities of anti-haemozoin compounds. In addition, the selected molecular descriptors in this QSAR model are helpful in designing more efficient compounds against the P. falciparum 3D7A strain.
Keyphrases
  • molecular docking
  • mass spectrometry
  • plasmodium falciparum