Chemometric Studies on Natural Products as Potential Inhibitors of the NADH Oxidase from Trypanosoma cruzi Using the VolSurf Approach

Scotti, Luciana; Ferreira, Elizabeth Igne; Silva, Marcelo Sobral da; Scotti, Marcus Tullius

doi:10.3390/molecules15107363

Cited by 31 publications

(16 citation statements)

References 22 publications

(46 reference statements)

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“…Also, Tasdemir et al () reported the anti‐ T. cruzi activity of chrysin dimethylether ( 153 ; IC 50 : 3.5 μg/ml; SI: 5.51, L6 cells) and 3′‐hydroxydaidzein ( 154 ; IC 50 : 4.7 μg/ml; SI: 4.53, L6 cells; Table ). Scotti, Scotti, Bolzani, and Ferreira () and Scotti, Ferreira, Silva, and Scotti () developed in silico studies to propose a pharmacophore group of many flavonoids and to know about their physicochemical properties, which could influence their biological activities.…”

Section: Natural Flavonoids As Potential Leads For the Treatment Of Mmentioning

confidence: 99%

“…It is actually an oligomeric membrane protein complex that transfers electrons from a relatively low‐potential quinol to a c‐type cytochrome with a high degree of homology (≈85%) of the bc1 subunits (Bohmont, Aaronson, Mann, & Pardini, ). The foremost target enzyme involved is the NADH‐oxidase (Scotti, Ferreira, et al, ).…”

Section: Molecular Targets For the Chemotherapy Of Malaria Leishmanimentioning

confidence: 99%

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Flavonoids as efficient scaffolds: Recent trends for malaria, leishmaniasis, Chagas disease, and dengue

Boniface

Ferreira

2019

Phytotherapy Research

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Endemic in 149 tropical and subtropical countries, neglected tropical diseases (NTDs) affect more than 1 billion people annually with over 500,000 deaths. Among the NTDs, some of the most severe consist of leishmaniasis, Chagas disease, and dengue. The impact of the combined NTDs closely rivals that of malaria. According to the World Health Organization, 216 million cases of malaria were reported in 2016 with 445,000 deaths. Current treatment options are associated with various limitations including widespread drug resistance, severe adverse effects, lengthy treatment duration, unfavorable toxicity profiles, and complicated drug administration procedures. Flavonoids are a class of compounds that has been the subject of considerable scientific interest. New developments of flavonoids have made promising advances for the potential treatment of malaria, leishmaniasis, Chagas disease, and dengue, with less toxicity, high efficacy, and improved bioavailability. This review summarizes the current standings of the use of flavonoids to treat malaria and neglected diseases such as leishmaniasis, Chagas disease, and dengue. Natural and synthetic flavonoids are leading compounds that can be used for developing antiprotozoal and antiviral agents. However, detailed studies on toxicity, pharmacokinetics, and mechanisms of action of these compounds are required to confirm the in vitro pharmacological claims of flavonoids for pharmaceutical applications. Highlights In the current review, we have tried to compile recent discoveries on natural and synthetic flavonoids as well as their implication in the treatment of malaria, leishmaniasis, Chagas disease, and dengue. A total of 373 (220 natural and 153 synthetic) flavonoids have been evaluated for antimalarial, antileishmanial, antichagasic, and antidengue activities. Most of these flavonoids showed promising results against the above diseases. Reports on molecular modeling of flavonoid compounds to the disease target indicated encouraging results. Flavonoids can be prospected as potential leads for drug development; however, more rigorously designed studies on toxicity and pharmacokinetics, as well as the quantitative structure–activity relationship studies of these compounds, need to be addressed.

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Section: Natural Flavonoids As Potential Leads For the Treatment Of Mmentioning

confidence: 99%

Section: Molecular Targets For the Chemotherapy Of Malaria Leishmanimentioning

confidence: 99%

Flavonoids as efficient scaffolds: Recent trends for malaria, leishmaniasis, Chagas disease, and dengue

Boniface

Ferreira

2019

Phytotherapy Research

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“…99 Utilizando a base Chemdiv, com 700.000 compostos, a triagem virtual baseada em farmacóforos da cruzaína selecionou 20 compostos, 11 dos quais disponíveis comercialmente. 100 Ensaiados em cruzaína in vitro, alguns dos compostos apresentaram IC 50 102 Os resultados apontam para a relevância do perfil hidrofóbico à atividade biológica estudada.…”

Section: Figura 26 Tio(semicarbazonas) Inibidoras De Cruzaínaunclassified

Drug Design for Chagas'Disease: Advances and Challenges

Ferreira¹

2012

Revista Virtual De Química

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Abstract:The paper reports the general aspects about drug design and development, especially in the area of neglected diseases. The urre t s e ario is e phasized, the re e t ad a es i the Chagas' disease he otherapy are sho a d the main challenges to be faced are discussed as well as the perspectives of the contribution of the Brazilian Medicinal Chemistry and of the Laboratory of Design and Synthesis of Chemotherapeutic Agents potentially active on Neglected Diseases (LAPEN).Keywords: Drug Desig ; Drug De elop e t: Negle ted Diseases; Chagas' Disease; a ti-Chagas' disease he otherapy;Medicinal Chemistry; Brazilian Medicinal Chemistry; LAPEN. ResumoO artigo trata dos aspectos gerais do planejamento e desenvolvimento de fármacos, especialmente na área de doenças negligenciadas. Enfatiza o cenário atual, mostra os avanços recentes efetuados na quimioterapia da doença de Chagas e discute os principais desafios a serem enfrentados bem como a contribuição

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“…NOX is becoming a potential target for therapeutic interventions in vascular diseases [8]. It was investigated that the action of natural products against parasitic infections involves the NOX inhibition, which therefore may be an underlying mechanism for cytotoxicity in parasites [9].…”

Section: Introductionmentioning

confidence: 99%

In vitro assessment of anticholinesterase and NADH oxidase inhibitory activities of an edible fern, Diplazium esculentum

Roy¹,

Dutta

Chaudhuri

2015

Journal of Basic and Clinical Physiology and Pharmacology

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Results indicated that 70% methanolic extract of D. esculentum effectively inhibited the enzymes acetylcholinesterase and NADH oxidase and acted as a potent antioxidant and free radical scavenger. These in vitro assays indicate that this plant extract is a significant source of natural antioxidants, which may be helpful in preventing the progression of various neurodegenerative disorders associated with oxidative stress.

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Chemometric Studies on Natural Products as Potential Inhibitors of the NADH Oxidase from Trypanosoma cruzi Using the VolSurf Approach

Cited by 31 publications

References 22 publications

Flavonoids as efficient scaffolds: Recent trends for malaria, leishmaniasis, Chagas disease, and dengue

Flavonoids as efficient scaffolds: Recent trends for malaria, leishmaniasis, Chagas disease, and dengue

Drug Design for Chagas'Disease: Advances and Challenges

In vitro assessment of anticholinesterase and NADH oxidase inhibitory activities of an edible fern, Diplazium esculentum

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