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Chalcone analogue as potent anti-malarial compounds against plasmodium falciparum:Synthesis,biological evaluation,and docking simulation study

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Asian Pacific Journal of Tropical Biomedicine 2017年第8期7卷 675-679页

作者： Jufrizal Syahri Emmy Yuanita Beta Achromi Nurohmah Ria Armunanto Bambang Purwono department of Chemistry Universitas Muhammadiyah Riau department of Chemistry Universitas Gadjah Mada department of Chemistry Universitas Mataram

To investigate in vitro antimalarial activity of chalcone derivative compounds against plasmodium falciparum 3d7 (Pf3d7) strain and in silico antimalarial *** of the chalcone derivatives was conducted via Claisen-Schmidt method using NaOH 60% base as catalyst. An in vitro antimalarial activity assay was carried out according to the Rieckmann method against the chloroquine-sensitive Pf3d7 strain. Molecular docking studies of the prepared compounds were performed using discovery Studio 3.1 (Accelrys, Inc., San diego, USA) software to dihydrofolate reductases-thymidylate synthase (PfdHFR-TS) protein with Protein data Bank Id of *** (sensitive-protein) and Id: *** (resistance-protein).ResultsThis work has successfully synthesized seven chalcone derivatives with a great antimalarial activity. It has been revealed that allyloxy, hydroxy and alkoxy functional groups could increase the antimalarial activity of the chalcone derivatives. The best antimalarial activity of the prepared compounds was possessed by 3b with an IC50 value of 0.59 μM and categorized as an excellent antiplasmodial. Molecular docking studies of 3b showed binding interaction with the amino acid residues such as Ala16, Ile164, Phe58, Tyr170 of the *** protein and also Ala16, Phe58, Ile112, Met55 of the *** *** in vitro antimalarial assay of the prepared chalcone derivative (3a-g) showed an excellent and good antiplasmodial activity against the chloroquine-sensitive Pf3d7 strain. In silico antimalarial studies revealed that 3a-g made binding interaction with both sensitive-protein (***) and resistance-protein (***), which means that they were both active against chloroquine-sensitive and resistant plasmodium strain.

关键词： Antimalarial Chalcone docking plasmodium falciparum 3d7

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Statistical properties of nucleotide clusters in dNA sequences

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Journal of Zhejiang University-Science B(Biomedicine & Biotechnology) 2005年第5期6卷 408-412页

作者：成军章林溪 department of Physics Jinhua University Jinhua 321017 China department of Physics Zhejiang University Hangzhou 310027 China

Using the complete genome of plasmodium falciparum 3d7 which has 14 chromosomes as an example, we have examined the distribution functions for the amount of C or G and A or T consecutively and non-overlapping blocks of m bases in this system. The function P(S) about the number of the consecutive C-G or A-T content cluster conforms to the relation P(S)∝e? ; αs values of the scaling exponent αCG are much larger than αAT; and αAT of 14 chromosomes are hardly changed, whereas αCG of 14 chromosomes have a number of fluctuations. We found maximum value of A-T cluster size is much larger than C-G, which implies the existence of large A-T cluster. Our study of the width function ξ(m) of cluster C-G content showed that follows good power law ξ(m)∝m?γ. The average γ for 14 chromosomes is 0.931. These investigations provide some insight into the nucleotide clusters of dNA sequences, and help us understand other properties of dNA sequences.

关键词： dNA sequence plasmodium falciparum 3d7 Nucleotide clusters Power law

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