Molecular docking, synthesis and in vitro antimalarial evaluation of certain novel curcumin analogues

Dohutia, Chandrajit; Chetia, Dipak; Gogoi, Kabita; Bhattacharyya, D. R.; Sarma, K. K.

doi:10.1590/s2175-97902017000400084

Cited by 13 publications

(21 citation statements)

References 49 publications

(48 reference statements)

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“…This reseach was initiated to evaluate the anti-malarial activity of 6 derivatives of curcumin based on their binding affinities and correlating the in silico docking outcome with the in vitro anti-malarial screening results. The in vitro results superimpose the results obtained from the in silico study thereby encouraging development of promising curcumin leads in the battle against malaria [132]. One approach to discover new biologically active compounds is to combine a steroid skeleton with structural elements endowed with appropriate biological activities.…”

Section: Novel Compounds In the Pipelinesupporting

confidence: 62%

Malaria: Introductory Concepts, Resistance Issues and Current Medicines

Nureye¹

2021

Plasmodium Species and Drug Resistance

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Malaria continues to be the main community health problem in numerous nations. Six species of Plasmodium are documented as the cause of human malaria infection. Among others, Plasmodium falciparum and Plasmodium vivax parasites produce an immense challenge in the public health. Anopheles funestus and Anopheles gambiae are the major transimmiter of the disease (malaria) from one person to another. The disease parasite has a complicated cycle of life that occurs in human and mosquitoes. In general, malaria diagnosis is divided into parasitological and clinical diagnosis. Internationally, the death rate of malaria becomes reduced although few records from Ethiopia describe the presence of raised prevalence of malaria in certain areas. Apart from reduction in incidence and prevalence, transmission of malaria is continued throughout the globe. Hence, its control needs a combined approach comprising treatment with effective antimalarial agents. A lot of novel compounds are under pre-clinical and clinical studies that are triggered by the occurrence of resistance among commonly used antimalarial drugs. In addition to the already known new compounds and targets for drug discovery, scientists from all corner of the world are in search of novel targets and chemical entities.

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Section: Novel Compounds In the Pipelinesupporting

confidence: 62%

Malaria: Introductory Concepts, Resistance Issues and Current Medicines

Nureye¹

2021

Plasmodium Species and Drug Resistance

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“…Furthermore, World Health Organization (WHO) recommends artemisinin as well as artemether as a combination therapy with a generic antimalarial drug (lumefantrine) as the first-line antimalarial treatment in more than 50 countries suffering from chloroquine-resistant malaria [153]. The combination treatment of artemisinin with quinine and artemisinin with curcumin also demonstrated in vitro and in vivo synergistic effects toward malaria [154]. In addition to that, artesunate/pyronaridine, artesunate/amodiaquine, dihydroartemisinin/piperaquine, artesunate/mefloquine, and artesunate/sulfadoxine/pyrimethamine combination therapies have recently been approved for the treatment of artemisinin-resistant malaria [153].…”

Section: Combination Therapy Of a Absinthium And Its Related Compounds With Other Drugsmentioning

confidence: 99%

Bioactive Compounds, Pharmacological Actions, and Pharmacokinetics of Wormwood (Artemisia absinthium)

et al. 2020

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Plants have been used since ancient times to cure certain infectious diseases, and some of them are now standard treatments for several diseases. Due to the side effects and resistance of pathogenic microorganisms to antibiotics and most drugs on the market, a great deal of attention has been paid to extracts and biologically active compounds isolated from plant species used in herbal medicine. Artemisia absinthium is an important perennial shrubby plant that has been widely used for the treatment of several ailments. Traditionally, A. absinthium has always been of pharmaceutical and botanical importance and used to manage several disorders including hepatocyte enlargement, hepatitis, gastritis, jaundice, wound healing, splenomegaly, dyspepsia, indigestion, flatulence, gastric pain, anemia, and anorexia. It has also been documented to possess antioxidant, antifungal, antimicrobial, anthelmintic, anti-ulcer, anticarcinogenic, hepatoprotective, neuroprotective, antidepressant, analgesic, immunomodulatory, and cytotoxic activity. Long-term use of A. absinthium essential oil may cause toxic and mental disorders in humans with clinical manifestations including convulsions, sleeplessness, and hallucinations. Combination chemotherapies of artemisia extract or its isolated active constituents with the currently available antibabesial or anti-malarial drugs are now documented to relieve malaria and piroplasmosis infections. The current review examines the phytoconstituents, toxic and biological activities of A. absinthium.

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“…As a result, antifolate antimalarial drugs (pyrimethamine and cycloguanil) inhibit dihydrofolate reductase (DHFR) and interfere with folate metabolism, a pathway essential to malaria parasite survival [40]. Additionally, PfATP6, the SERCA-type Ca 2+ -ATPase enzyme present in the malarial parasite, has been identified as the molecular target for artemisinin, curcumin and curcumin derivatives [41].…”

Section: Discussionmentioning

confidence: 99%

Antimalarial properties and molecular docking analysis of compounds from Dioscorea bulbifera L. as new antimalarial agent candidates

Chaniad

Mungthin

Payaka

et al. 2021

BMC Complement Med Ther

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Background At present, the emergence and spread of antimalarial drug resistance has become a significant problem worldwide. There has been a challenge in searching for natural products for the development of novel antimalarial drugs. Therefore, this study aims to evaluate compounds from Dioscorea bulbifera responsible for antimalarial properties and investigate potential interactions of the compounds with Plasmodium falciparum lactate dehydrogenase (PfLDH), an essential glycolytic enzyme in the parasite’s life cycle. Methods An in vitro study of antimalarial activity against chloroquine (CQ)-resistant Plasmodium falciparum (K1 strain) and CQ-sensitive P. falciparum (3D7 strain) was performed using the 3H-hypoxanthine uptake inhibition method. The cytotoxic effects of the pure compounds were tested against Vero cells using a 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. The interactions of the compounds with the PfLDH active site were additionally investigated using a molecular docking method. Results Quercetin (6) exhibited the highest antimalarial activity against the P. falciparum K1 and 3D7 strains, with IC50 values of 28.47 and 50.99 μM, respectively. 2,4,3′,5′-Tetrahydroxybibenzyl (9), 3,5-dimethoxyquercetin (4) and quercetin-3-O-β-D-galactopyranoside (14) also possessed antimalarial effects against these two strains of P. falciparum. Most pure compounds were nontoxic against Vero cells at a concentration of 80 μg/ml, except for compound 9, which had a cytotoxic effect with a CC50 value of 16.71 μM. The molecular docking results indicated that 9 exhibited the best binding affinity to the PfLDH enzyme in terms of low binding energy (− 8.91 kcal/mol) and formed strong hydrogen bond interactions with GLY29, GLY32, THR97, GLY99, PHE100, THR101 and ASN140, amino acids as active sites. In addition, 6 also possessed remarkable binding affinity (− 8.53 kcal/mol) to PfLDH by interacting with GLY29, ILE31, ASP53, ILE54, THR97 and THR101. Conclusion Quercetin is a major active compound responsible for the antimalarial activity of D. bulbifera and is an inhibitor of PfLDH. These findings provide more evidence to support the traditional use of D. bulbifera for malaria treatment. Structural models of its interactions at the PfLDH active site are plausibly useful for the future design of antimalarial agents.

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Molecular docking, synthesis and in vitro antimalarial evaluation of certain novel curcumin analogues

Cited by 13 publications

References 49 publications

Malaria: Introductory Concepts, Resistance Issues and Current Medicines

Malaria: Introductory Concepts, Resistance Issues and Current Medicines

Bioactive Compounds, Pharmacological Actions, and Pharmacokinetics of Wormwood (Artemisia absinthium)

Antimalarial properties and molecular docking analysis of compounds from Dioscorea bulbifera L. as new antimalarial agent candidates

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