A structure guided drug-discovery approach towards identification of Plasmodium inhibitors

Aneja, Babita; Kumar, Bhumika; Jairajpuri, Mohamad Aman; Abid, Mohammad

doi:10.1039/c5ra19673f

Cited by 22 publications

(7 citation statements)

References 207 publications

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“…Inhibition of PfPNP results in parasite death through purine starvation, since P. falciparum is a purine auxotroph due to lack of the de novo purine biosynthetic pathway [41]. PfPNP catalyzes inosine phosphorolysis into ribose-1-phosphate and hypoxanthine, the primary purine substrate for the salvage pathway [53]. erefore, we considered PfPNP as a molecular target of the proposed synthesized compounds.…”

Section: Antiprotozoal Activitymentioning

confidence: 99%

New Benzoxazole Derivatives as Antiprotozoal Agents: In Silico Studies, Synthesis, and Biological Evaluation

Abdelgawad

Al-Sanea

Zaki

et al. 2021

Journal of Chemistry

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Background. Benzoxazole derivatives have different biological activities. In pursuit of designing novel chemical entities with antiprotozoal and antimicrobial activities, benzoxazolyl aniline was utilized as a privileged scaffold of a series of (3-benzoxazole-2-yl) phenylamine derivatives, 3-benzoxazoloyl acetamide, and butyramide derivatives. Methods. These novel analogs were synthesized in straightforward simple chemistry without any quantitative chromatographic separations in reasonable yields. The biological evaluation of all target compounds as potential antimalarial, antileishmanial, antitrypanosomal, and antimicrobial agents was performed by various well-established cell-based methods. Results. Compounds 6d and 5a showed promising biological screening data. The amidation of 3-benzoxazolyl aniline 1 with the chloroacetyl functional group resulted in a good antimalarial activity and showed moderate inhibitory activities against leishmanial and trypanosomal spp. Moreover, chloroacetyl functionalization of benzoxazolyl aniline serves as a good early goal for constructing and synthesizing new antimicrobial and antiprotozoal agents. The molecular docking study rationalizes the relative inhibitory activity of compound 5a as an antimalarial agent with the deregulation of PfPNP activity which has emerged as a major mechanism of these targets.

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Section: Antiprotozoal Activitymentioning

confidence: 99%

New Benzoxazole Derivatives as Antiprotozoal Agents: In Silico Studies, Synthesis, and Biological Evaluation

Abdelgawad

Al-Sanea

Zaki

et al. 2021

Journal of Chemistry

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“…However, the emergence of CQ‐resistance in the 1960s paved the way for the development of artemisinin combination therapy (ACT), worldwide (Beteck, Smit, Haynes, & N’Da, 2014; Dondorp et al., 2010). Unfortunately, the development of resistance to ACTs in Southeast Asia along with the lack of effective vaccine has called for urgent efforts to enrich the chemical libraries with new scaffolds with potent anti‐plasmodial activities and low incidence of resistance (Aneja, Kumar, Jairajpuri, & Abid, 2016; Dondorp et al., 2009; Gobbi et al., 2016; Leang et al., 2015).…”

Section: Introductionmentioning

confidence: 99%

Amalgamating Isatin/Indole/Nitroimidazole with 7‐chloroquinolines via azide‐alkyne cycloaddition: Synthesis, anti‐plasmodial, and cytotoxic evaluation

et al. 2020

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The present paper describes the synthesis, anti-plasmodial, and cytotoxic evaluation of 7-chloroquinoline-based conjugates with isatins/indoles/ nitroimidazoles, obtained via Cu-promoted 1,3-dipolar cycloadditions. On contemplating SAR of the synthesized series, the inclusion of indole and nitroimidazole-core improved the antiplasmodial activities while the isatin seemed to have a lesser effect. The conjugate with a nitroimidazole-core and hexyl chain length as a spacer between the two pharmacophores was found to be most potent among the synthesized series and displayed an IC 50 of 0.12 µM and a selectivity index of 1748.

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“…Chemical compounds with a low biological toxicity stemming from natural products can be obtained from a wide range of sources, 14,15 and are being used as lead compounds in the preparation of safe and low toxicity hemostatic drugs. In our previous studies, 16,17 we evaluated the activity of cinnamic acid amide derivatives synthesized by sulfa drug 2-aminothiazole with cinnamic acid compounds.…”

Section: Introductionmentioning

confidence: 99%

Synthesis of a series of benzothiazole amide derivatives and their biological evaluation as potent hemostatic agents

Nong

Zhao

et al. 2018

RSC Adv.

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A structure guided drug-discovery approach towards identification of Plasmodium inhibitors

Abstract: This article provides a comprehensive review of inhibitors from natural, semisynthetic or synthetic sources against key targets ofPlasmodium falciparum.

Cited by 22 publications

References 207 publications

New Benzoxazole Derivatives as Antiprotozoal Agents: In Silico Studies, Synthesis, and Biological Evaluation

New Benzoxazole Derivatives as Antiprotozoal Agents: In Silico Studies, Synthesis, and Biological Evaluation

Amalgamating Isatin/Indole/Nitroimidazole with 7‐chloroquinolines via azide‐alkyne cycloaddition: Synthesis, anti‐plasmodial, and cytotoxic evaluation

Synthesis of a series of benzothiazole amide derivatives and their biological evaluation as potent hemostatic agents

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