Docking and in silico ADMET studies of noraristeromycin, curcumin and its derivatives with Plasmodium falciparum SAH hydrolase: A molecular drug target against malaria

Molecular modeling and computational simulation of the photosystem-II reaction center to address isoproturon resistance in Phalaris minor

(2012) Durg Vijay Singh et al.   JOURNAL OF MOLECULAR MODELING

In Silico Exploration of Anti-Inflammatory Activity of Natural Coumarinolignoids

(2011) Abha Meena et al.   Chemical Biology & Drug Design

Pharmacophore modeling, molecular docking, QSAR, and in silico ADMET studies of gallic acid derivatives for immunomodulatory activity

(2011) Dharmendra Kumar Yadav et al.   JOURNAL OF MOLECULAR MODELING

The plant-based immunomodulator curcumin as a potential candidate for the development of an adjunctive therapy for cerebral malaria

(2011) Patrice N Mimche et al.   MALARIA JOURNAL

Whole plant extracts versus single compounds for the treatment of malaria: synergy and positive interactions

(2011) Philippe Rasoanaivo et al.   MALARIA JOURNAL

Cytotoxic activity of secondary metabolites derived from Artemisia annua L. towards cancer cells in comparison to its designated active constituent artemisinin

(2011) Thomas Efferth et al.   PHYTOMEDICINE

The binding modes and binding affinities of artemisinin derivatives with Plasmodium falciparum Ca2+-ATPase (PfATP6)

(2010) Pradeep Kumar Naik et al.   JOURNAL OF MOLECULAR MODELING

Predicting Phospholipidosis Using Machine Learning

(2010) Robert Lowe et al.   MOLECULAR PHARMACEUTICS

Interactions of curcumin with the PfATP6 model and the implications for its antimalarial mechanism

(2009) Hong-Fang Ji et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Docking Studies of Structurally Diverse Antimalarial Drugs Targeting PfATP6: No Correlation between in silico Binding Affinity and in vitro Antimalarial Activity.

(2009) Fatima Bousejra-El Garah et al.   ChemMedChem

Combined Pharmacophore Modeling, Docking, and 3D QSAR Studies of ABCB1 and ABCC1 Transporter Inhibitors

(2009) Ilza K. Pajeva et al.   ChemMedChem

Comprehensive Assessment of ADMET Risks in Drug Discovery

(2009) Jianling Wang   CURRENT PHARMACEUTICAL DESIGN

Synthesis of 4′-modified noraristeromycins to clarify the effect of the 4′-hydroxyl groups for inhibitory activity against S-adenosyl-l-homocysteine hydrolase

(2008) Takayuki Ando et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS