scholarly journals REVISÃO DA LITERATURA SOBRE PLANTAS MEDICINAIS NO CONTEXTO DA PANDEMIA DE SARS-COV-2

2021 ◽  
Author(s):  
Tayane Costa Morais
Keyword(s):  
In Silico ◽  
Eucalyptus Globulus ◽  
Allium Sativum ◽  
Echinacea Angustifolia ◽  
Echinacea Pallida ◽  
Mauritia Flexuosa ◽  
Glycyrrhiza Glabra L ◽  
Mikania Glomerata

Introdução: COVID-19 é uma doença infecciosa causada pelo vírus SARS-CoV-2, que está causando crise sanitária e humanitária. Ainda não há medicamento e o modo de tratar tem sido principalmente de suporte. As comunidades científicas buscam encontrar agentes terapêuticos, como por exemplo, plantas tem sido alvo de estudos para o tratamento. Objetivo: Analisar os estudos recentes sobre plantas medicinais no contexto da pandemia de SARS-Cov-2. Materiais e Métodos: Revisão integrativa. Pergunta norteadora: quais os estudos recentes sobre as pesquisas envolvendo plantas medicinais no contexto da COVID-19? Critérios de inclusão: artigos, texto completo, recorte temporal de 2020 a junho de 2021. Idiomas: inglês, espanhol e português. Critérios de exclusão: fora da temática e não ser artigo científico. Bases de dados: BVS, SCIELO e LILACS. Descritores: Plantas Medicinais, COVID-19 e SARS-Cov-2. O instrumento para coleta de dados foi validado por Ursi (2005). Resultados: No BVS foram encontrados 526 estudos, Scielo 1 e LILACS 2. Critério de exclusão: 442 fora do tema, 15 fora do recorte temporal, 20 não eram artigo e 15 eram repetidos. Total de artigos estudados foram 36, sendo 72,2% de 2021. Foram estudos de 17 países, com 27,8% artigos da Índia e 8,34% do Brasil. As principais plantas estudadas foram: Allium sativum L.; Echinacea angustifolia D. C.; Echinacea pallida; Eucalyptus globulus Labill; Glycyrrhiza glabra L.; Mikania glomerata Spreng e Mauritia flexuosa L.. Os principais metabolitos estudados foram: Alicina, cistéina, Ácido chicórico, equinaceína, fitoesterois, Eucaliptol, hiperosídeo e Cumarinas, sesquiterpeno. Os estudos analisados demostram que essas espécies podem representar opções promissoras para o tratamento dos sintomas causados por agentes infecciosos. Um exemplo é a Mauritia flexuosa L. Ela possui 13-cis-β-caroteno, 9-cis -β-caroteno e α-caroteno e as análises da atividade anti-covid-19 se processaram utilizando métodos in silico de Docking Molecular, os resultados teóricos encorajam e permitem um direcionamento para estudos experimentais in vitro e in vivo. Conclusão: São pesquisas de revisão da literatura, estudos prospectivos, duplo cego, randomizado controlado por placebo. Auxiliam no combate a notícias falsas sobre profilaxia da COVID-19 utilizando plantas medicinais. É um campo de pesquisa importante, especialmente para o momento pandêmico, necessitando de investimento público e privado.

scholarly journals Determinação da atividade antiparasitária de plantas medicinais frente a parasitas gastrointestinais

2021 ◽  
Vol 2 (5) ◽  
pp. 1405-1415
Author(s):  
Kellvin Costa Maciel ◽  
Nayane Monalys Silva De Lima ◽  
Cícero Jádson Da Costa ◽  
Carlos Alberto Mendes Da Silva Filho ◽  
Josenildo Severino De Vasconcelos ◽  
...  
Keyword(s):  
Eucalyptus Globulus ◽  
Allium Sativum ◽  
Punica Granatum ◽  
Artemia Salina ◽  
Mentha Piperita ◽  
Petroselinum Crispum ◽  
Bidens Pilosa ◽  
Mentha Crispa

RESUMO Introdução. As parasitoses representam um grave problema de saúde pública, nas comunidades mais carentes. Rotineiramente a comida acaba sendo veículo de disseminação de microrganismos como, Entamoeba sp e Giardia sp, também tem destaque a não acessibilidade a tratamentos medicamentosos.  Buscou-se analisar a atividade antiparasitária e toxicidade dos extratos: Bidens pilosa, Cucurbita sp , Eucalyptus globulus, Mentha piperita L., Ocimum gratissimum, Petroselinum crispum, Allium sativum, Coriadrum sativum, Dysphania ambrosioide, Punica granatum. frente aos cistos da Giardia sp e Entamoeba sp, como potenciais antiprotozoários. Métodos Foram produzidos extratos brutos secos, hidro alcoólicos, por método maceração e posterior secagem. Os cistos de Ameba sp. e Giárdia sp., foram expostos em soluções dos extratos nas concentrações de 100%, 50%, 25% e 12,5%, com uma proporção de amostra/extrato (1:10). Foi utilizado a técnica de Artemia salina para observação da toxicidade dos mesmos. Resultados Os extratos de Eucalyptus globulus, Mentha crispa, Allium sativum, Coriadrum sativum e Punica granatum, demonstraram maior espectro de ação frente aos microrganismos. As principais alterações, evidenciadas nos cistos, foram retração da membrana e lise celular com extravasamento do citosol.  Observou-se que a maioria dos extratos demonstraram-se praticamente atóxicos. Conclusão As plantas medicinais devem ser estudadas adotando ensaios in vitro e in vivo, para observar a ação antiprotozoária em ambas as situações. O estudo revelou um potencial   para a produção de produtos com fins terapêuticos antiparasitários.   ABSTRACT Introduction. Parasitosis represent a serious public health problem in poor communities. Routinely, food ends up being a vehicle for the dissemination of microorganisms such as Entamoeba sp and Giardia sp.  We sought to analyze the antiparasitic activity and toxicity of the extracts: Bidens pilosa, Cucurbita sp, Eucalyptus globulus, Mentha piperita L., Ocimum gratissimum, Petroselinum crispum, Allium sativum, Coriadrum sativum, Dysphania ambrosioide, Punica granatum. against Giardia sp and Entamoeba sp cysts, as potential antiprotozoal agents. Methods Dry, hydroalcoholic crude extracts were produced by maceration method and subsequent drying. Ameba sp. and Giardia sp. cysts were exposed in solutions of the extracts at concentrations of 100%, 50%, 25% and 12.5%, with a sample/extract ratio (1:10). The Artemia salina technique was used to observe their toxicity. Results The extracts of Eucalyptus globulus, Mentha crispa, Allium sativum, Coriadrum sativum and Punica granatum, demonstrated a greater spectrum of action against microorganisms. The main alterations, evidenced in the cysts, were membrane retraction and cell lysis with cytosol extravasation.  It was observed that most of the extracts were practically non-toxic. Conclusion Medicinal plants should be studied adopting in vitro and in vivo assays, to observe the antiprotozoal action in both situations. The study revealed a potential for the production of products with antiparasitic therapeutic purposes.  

scholarly journals Theoretical perspectives on the interaction between warfarin and garlic compounds with an in silico study of CYP3A4

2019 ◽  
Vol 3 (44) ◽  
Author(s):  
Geovane De Almeida Saldanha ◽  
André Valle de Bairros ◽  
Fávero Reisdorfer Paula
Keyword(s):  
In Silico ◽  
Allium Sativum ◽  
Theoretical Perspectives ◽  
In Silico Study

Alho (Allium sativum L.) é um dos suplementos alimentares mais consumidos no mundo e tem mpultiplas pripriedades biológicas. Entre todas as moléculas obtidas de alo, S-alil-Lcisteína (SAC), S-metil-L-cisteína (SMC) e S-alilmercaptocisteína (SAMC) são destacadas. Existem estudos in vitro e in vivo que correlacionam as interações destas mléculas com drogas medicinais como varfarina pela competição no sítio de ligação das isenzimas do citocromo P450 (CYP). Varfarina é um anticoagulando oral pertencente à classe dos antagonistas da vitamina K e meraboliza por CYP3A4, 2C9 e 2C19. Este artigo consiste em uma revisão mostrando estudos com extrados e/ou compostos isolados do alho, vias metabólicas e consequências biológicas considerando interações armacológicas. Os resultados revelaram que os extratos de alho expressam uma atividade inibitória em CYP3A4, 2C9 e 2C19. A inibiçã de CYP3A4 foi maior que 50% para SAC e SAMC. O experimento in silico foi realizado para SAC, SMC e SAMC na isoenzima CP3A4 em que SAMC mostrou menor energia de interação (-85, 9Kcal mol-1). (R)-varfarina foi estudada na mesma cavidade molecular deste sítio ativo e mostrou menor valor de energia de interação (-101, 1Kcal mol-1) en comparação com três compostos,  que pode suregir que varfarina mostrou melhor afinidade com CYP3a4. Consequentemente, SAMC interage melhor co CYP3A4, seguida de SAC e SMC (-80,4 e 70,2 Kcal mol-1, respectivamente). Estes resultados indicam que mercaptocisteína mostra melhor encaixe com o sítio ativo da CYP3A4 humana. Então, estas interações podem potencializar o risco de sangramento em pacientes durante terapia com varfaria, pois em alguns dos compostos de alho inibem a CYP responsával pela biotransformaço de (R)-varfarina. Estes achados sugerem que o consume de alho deveria ser monitorado em pacientes que recebem terapia anticoagulante com varfarina e os profissionais da saúde devem esta conscientes deste potencial de interação. 

Recent In Vitro and In Silico Advances in the Understanding of Intranasal Drug Delivery

2020 ◽  
Vol 26 ◽  
Author(s):  
John Chen ◽  
Andrew Martin ◽  
Warren H. Finlay
Keyword(s):  
Drug Delivery ◽  
In Silico ◽  
Local Drug Delivery ◽  
In Vivo Studies ◽  
Intranasal Drug Delivery ◽  
Nasal Sprays ◽  
In Silico Studies ◽  
Drug Delivery Devices

Background: Many drugs are delivered intranasally for local or systemic effect, typically in the form of droplets or aerosols. Because of the high cost of in vivo studies, drug developers and researchers often turn to in vitro or in silico testing when first evaluating the behavior and properties of intranasal drug delivery devices and formulations. Recent advances in manufacturing and computer technologies have allowed for increasingly realistic and sophisticated in vitro and in silico reconstructions of the human nasal airways. Objective: To perform a summary of advances in understanding of intranasal drug delivery based on recent in vitro and in silico studies. Conclusion: The turbinates are a common target for local drug delivery applications, and while nasal sprays are able to reach this region, there is currently no broad consensus across the in vitro and in silico literature concerning optimal parameters for device design, formulation properties and patient technique which would maximize turbinate deposition. Nebulizers are able to more easily target the turbinates, but come with the disadvantage of significant lung deposition. Targeting of the olfactory region of the nasal cavity has been explored for potential treatment of central nervous system conditions. Conventional intranasal devices, such as nasal sprays and nebulizers, deliver very little dose to the olfactory region. Recent progress in our understanding of intranasal delivery will be useful in the development of the next generation of intranasal drug delivery devices.

In-silico Studies of Isolated Phytoalkaloid Against Lipoxygenase: Study Based on Possible Correlation

2018 ◽  
Vol 21 (3) ◽  
pp. 215-221
Author(s):  
Haroon Khan ◽  
Muhammad Zafar ◽  
Helena Den-Haan ◽  
Horacio Perez-Sanchez ◽  
Mohammad Amjad Kamal
Keyword(s):  
In Silico ◽  
Docking Studies ◽  
In Vivo Studies ◽  
In Vitro Assays ◽  
Chronic Obstructive ◽  
Lipoxygenase Inhibitors ◽  
Lipoxygenase Inhibition ◽  
In Silico Studies

Aim and Objective: Lipoxygenase (LOX) enzymes play an important role in the pathophysiology of several inflammatory and allergic diseases including bronchial asthma, allergic rhinitis, atopic dermatitis, allergic conjunctivitis, rheumatoid arthritis and chronic obstructive pulmonary disease. Inhibitors of the LOX are believed to be an ideal approach in the treatment of diseases caused by its over-expression. In this regard, several synthetic and natural agents are under investigation worldwide. Alkaloids are the most thoroughly investigated class of natural compounds with outstanding past in clinically useful drugs. In this article, we have discussed various alkaloids of plant origin that have already shown lipoxygenase inhibition in-vitro with possible correlation in in silico studies. Materials and Methods: Molecular docking studies were performed using MOE (Molecular Operating Environment) software. Among the ten reported LOX alkaloids inhibitors, derived from plant, compounds 4, 2, 3 and 1 showed excellent docking scores and receptor sensitivity. Result and Conclusion: These compounds already exhibited in vitro lipoxygenase inhibition and the MOE results strongly correlated with the experimental results. On the basis of these in vitro assays and computer aided results, we suggest that these compounds need further detail in vivo studies and clinical trial for the discovery of new more effective and safe lipoxygenase inhibitors. In conclusion, these results might be useful in the design of new and potential lipoxygenase (LOX) inhibitors.

In Silico Assessment of ADME Properties: Advances in Caco-2 Cell Monolayer Permeability Modeling

2019 ◽  
Vol 18 (26) ◽  
pp. 2209-2229 ◽  
Author(s):  
Hai Pham-The ◽  
Miguel Á. Cabrera-Pérez ◽  
Nguyen-Hai Nam ◽  
Juan A. Castillo-Garit ◽  
Bakhtiyor Rasulev ◽  
...  
Keyword(s):  
Intestinal Absorption ◽  
In Silico ◽  
Review Paper ◽  
Cell Monolayer ◽  
Cell Permeability ◽  
Drug Substances ◽  
Wide Range ◽  
Modeling Techniques

One of the main goals of in silico Caco-2 cell permeability models is to identify those drug substances with high intestinal absorption in human (HIA). For more than a decade, several in silico Caco-2 models have been made, applying a wide range of modeling techniques; nevertheless, their capacity for intestinal absorption extrapolation is still doubtful. There are three main problems related to the modest capacity of obtained models, including the existence of inter- and/or intra-laboratory variability of recollected data, the influence of the metabolism mechanism, and the inconsistent in vitro-in vivo correlation (IVIVC) of Caco-2 cell permeability. This review paper intends to sum up the recent advances and limitations of current modeling approaches, and revealed some possible solutions to improve the applicability of in silico Caco-2 permeability models for absorption property profiling, taking into account the above-mentioned issues.

In Silico Study of Potential Cross-Kingdom Plant MicroRNA Based Regulation in Chronic Myeloid Leukemia

2020 ◽  
Vol 17 (2) ◽  
pp. 125-132
Author(s):  
Marjanu Hikmah Elias ◽  
Noraziah Nordin ◽  
Nazefah Abdul Hamid
Keyword(s):  
Targeted Therapy ◽  
In Silico ◽  
Structure Prediction ◽  
Tertiary Structure ◽  
Target Prediction ◽  
In Silico Analysis ◽  
Microrna Target ◽  
Good Target

Background: Chronic Myeloid Leukaemia (CML) is associated with the BCRABL1 gene, which plays a central role in the pathogenesis of CML. Thus, it is crucial to suppress the expression of BCR-ABL1 in the treatment of CML. MicroRNA is known to be a gene expression regulator and is thus a good candidate for molecularly targeted therapy for CML. Objective: This study aims to identify the microRNAs from edible plants targeting the 3’ Untranslated Region (3’UTR) of BCR-ABL1. Methods: In this in silico analysis, the sequence of 3’UTR of BCR-ABL1 was obtained from Ensembl Genome Browser. PsRNATarget Analysis Server and MicroRNA Target Prediction (miRTar) Server were used to identify miRNAs that have binding conformity with 3’UTR of BCR-ABL1. The MiRBase database was used to validate the species of plants expressing the miRNAs. The RNAfold web server and RNA COMPOSER were used for secondary and tertiary structure prediction, respectively. Results: In silico analyses revealed that cpa-miR8154, csi-miR3952, gma-miR4414-5p, mdm-miR482c, osa-miR1858a and osa-miR1858b show binding conformity with strong molecular interaction towards 3’UTR region of BCR-ABL1. However, only cpa-miR- 8154, osa-miR-1858a and osa-miR-1858b showed good target site accessibility. Conclusion: It is predicted that these microRNAs post-transcriptionally inhibit the BCRABL1 gene and thus could be a potential molecular targeted therapy for CML. However, further studies involving in vitro, in vivo and functional analyses need to be carried out to determine the ability of these miRNAs to form the basis for targeted therapy for CML.

scholarly journals In Silico Predicted Antifungal Peptides: In Vitro and In Vivo Anti-Candida Activity

2021 ◽  
Vol 7 (6) ◽  
pp. 439
Author(s):  
Tecla Ciociola ◽  
Walter Magliani ◽  
Tiziano De Simone ◽  
Thelma A. Pertinhez ◽  
Stefania Conti ◽  
...  
Keyword(s):  
In Silico ◽  
Mammalian Cells ◽  
Galleria Mellonella ◽  
Ex Vivo ◽  
Consensus Sequence ◽  
In Silico Analysis ◽  
Significant Activity ◽  
Synthetic Antibody

It has been previously demonstrated that synthetic antibody-derived peptides could exert a significant activity in vitro, ex vivo, and/or in vivo against microorganisms and viruses, as well as immunomodulatory effects through the activation of immune cells. Based on the sequence of previously described antibody-derived peptides with recognized antifungal activity, an in silico analysis was conducted to identify novel antifungal candidates. The present study analyzed the candidacidal and structural properties of in silico designed peptides (ISDPs) derived by amino acid substitutions of the parent peptide KKVTMTCSAS. ISDPs proved to be more active in vitro than the parent peptide and all proved to be therapeutic in Galleria mellonella candidal infection, without showing toxic effects on mammalian cells. ISDPs were studied by circular dichroism spectroscopy, demonstrating different structural organization. These results allowed to validate a consensus sequence for the parent peptide KKVTMTCSAS that may be useful in the development of novel antimicrobial molecules.

scholarly journals Combining species specific in vitro & in silico models to predict in vivo food effect in a preclinical stage – case study of Venetoclax

2021 ◽  
pp. 105840
Author(s):  
Laura J. Henze ◽  
Niklas J. Koehl ◽  
Joseph P. O'Shea ◽  
René Holm ◽  
Maria Vertzoni ◽  
...  
Keyword(s):  
In Silico ◽  
Food Effect ◽  
Preclinical Stage ◽  
Species Specific ◽  
In Silico Models

Synthesis and characterization of Chitosan-Catechol conjugates: Development and in vitro, in silico and in vivo evaluation of mucoadhesive pellets of lafutidine

2021 ◽  
pp. 088391152199784
Author(s):  
Loveleen Kaur ◽  
Ajay Kumar Thakur ◽  
Pradeep Kumar ◽  
Inderbir Singh
Keyword(s):  
Drug Release ◽  
In Silico ◽  
Ex Vivo ◽  
Strong Interactions ◽  
Dissolution Time ◽  
Sem Images ◽  
In Vivo Evaluation ◽  
Release Studies

Present study was aimed to synthesize and characterize Chitosan-Catechol conjugates and to design and develop mucoadhesive pellets loaded with lafutidine. SEM images indicated the presence of fibrous structures responsible for enhanced mucoadhesive potential of Chitosan-Catechol conjugates. Thermodynamic stability and amorphous nature of conjugates was confirmed by DSC and XRD studies respectively. Rheological studies were used to evaluate polymer mucin interactions wherein strong interactions between Chitosan-Catechol conjugate and mucin was observed in comparison to pristine chitosan and mucin. The mucoadhesion potential of Chitosan-Catechol (Cht-C) versus Chitosan (Cht) was assessed in silico using molecular mechanics simulations and the results obtained were compared with the in vitro and ex vivo results. Cht-C/mucin demonstrated much higher energy stabilization (∆E ≈ −65 kcal/mol) as compared to Cht/mucin molecular complex. Lafutidine-loaded pellets were prepared from Chitosan (LPC) and Chitosan-Catechol conjugates (LPCC) and were evaluated for various physical properties viz. flow, circularity, roundness, friability, drug content, particle size and percent mucoadhesion. In vitro drug release studies on LPC and LPCC pellets were performed for computing t50%, t90% and mean dissolution time. The values of release exponent from Korsmeyer-Peppas model was reported to be 0.443 and 0.759 for LPC and LPCC pellets suggesting Fickian and non-Fickian mechanism representing drug release, respectively. In vivo results depicted significant controlled release and enhanced residence of the drug after being released from the chitosan-catechol coated pellets. Chitosan-Catechol conjugates were found to be a promising biooadhesive polymer for the development of various mucoadhesive formulations.

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