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1.
Cienc. tecnol. salud ; 7(3): 347-362, 26 de noviembre 2020. ^c27 cmilus
Article in Spanish | LILACS, LIGCSA, DIGIUSAC | ID: biblio-1141471

ABSTRACT

El reposicionamiento de fármacos como la derivatización química, que se han aplicado en los estudios de descubrimiento y diseño de fármacos contra el SARS-CoV-2, dependen del ciclo de vida del virus, las dianas moleculares identificadas y un diseño basado en su estructura e interacciones moleculares. Se realizó una revisión extensa en las bases de datos públicas e institucionales RSCB-Protein Data Bank, ZINC, NCBI (PubMed, PMC), PubChem, Science Direct e instituciones como CDC, NIH y revistas científicas especializadas sobre los avances en la búsqueda de nuevas moléculas contra el nuevo coronavirus basadas en estudios in silico, detectándose más de 40,000 publicaciones sobre SARS-CoV-2 y cerca de 200 relacionadas a dichos estudios, las consideradas más relevantes fueron analizadas e incluidas en este artículo. Su análisis evidencia el avance acelerado de las herramientas computacionales y fortaleza del diseño de fármacos asistido por computadora (in silico approach) para la generación de nuevas moléculas con posibilidad de ser activas contra COVID-19 y presenta las principales dianas moleculares sobre la que actúan estos agentes con potencial antiviral.


The search of new applications for approved drugs by the regulatory authorities around the world, as well as their chemical derivatization in the search for new and effective drugs against SARS-CoV-2 depends of the viral life cycle, action of the drug and a receptor-based design. We performed a deep bibliographic research in peer reviewed scientific journals, data bases RSCB-Protein Data Bank, ZINC, NCBI (PubMed, PMC), PubChem, Science Direct and institutions (CDC, NIH) in the search of new molecules tested in silico against the novel coronavirus. As a result, we found more than 40,000 research papers related to SARS-CoV-2 and nearby 200 look on in silico studies, taking into consideration for this work all the more relevant for us, evidenced the accelerated advance and strength of the drug design assisted by computer (in silico approach) to develop new molecules that can be effective against COVID-19 and, at the same time, it exposes the main molecular targets.


Subject(s)
Humans , Computer Simulation , Coronavirus Infections/therapy , Betacoronavirus , SARS-CoV-2 , Antiviral Agents/analysis , Pharmaceutical Preparations/analysis , Drug Design , COVID-19
2.
Article in Chinese | WPRIM | ID: wpr-828529

ABSTRACT

Cullin-RING E3 ligases (CRLs) are the major components of ubiquitin-proteasome system, responsible for ubiquitylation and subsequent degradation of thousands of cellular proteins. CRLs play vital roles in the regulation of multiple cellular processes, including cell cycle, cell apoptosis, DNA replication, signalling transduction among the others, and are frequently dysregulated in many human cancers. The discovery of specific neddylation inhibitors, represented by MLN4924, has validated CRLs as promising targets for anti-cancer therapies with a growing market. Recent studies have focused on the discovery of the CRLs inhibitors by a variety of approaches, including high through-put screen, virtual screen or structure-based drug design. The field is, however, still facing the major challenging, since CRLs are a large multi-unit protein family without typical active pockets to facilitate the drug design, and enzymatic activity is mainly dependent on undruggable protein-protein interactions and dynamic conformation changes. Up to now, most reported CRLs inhibitors are aiming at targeting the F-box family proteins (e.g., SKP2, β-TrCP and FBXW7), the substrate recognition subunit of SCF E3 ligases. Other studies reported few small molecule inhibitors targeting the UBE2M-DCN1 interaction, which specifically inhibits CRL3/CRL1 by blocking the cullin neddylation. On the other hand, several CRL activators have been reported, such as plant auxin and immunomodulatory imide drugs, thalidomide. Finally, proteolysis-targeting chimeras (PROTACs) has emerged as a new technology in the field of drug discovery, specifically targeting the undruggable protein-protein interaction. The technique connects the small molecule that selectively binds to a target protein to a CRL E3 via a chemical linker to trigger the degradation of target protein. The PROTAC has become a hotspot in the field of E3-ligase-based anti-cancer drug discovery.


Subject(s)
Antineoplastic Agents , Pharmacology , Therapeutic Uses , Drug Design , Drug Discovery , Enzyme Inhibitors , Pharmacology , Therapeutic Uses , Humans , Neoplasms , Ubiquitin-Protein Ligases , Metabolism , Ubiquitination
3.
Arch. endocrinol. metab. (Online) ; 63(6): 601-607, Nov.-Dec. 2019. tab
Article in English | LILACS | ID: biblio-1055017

ABSTRACT

ABSTRACT Growth hormone therapy with daily injections of recombinant human growth hormone has been available since 1985, and is shown to be safe and effective treatment for short stature in children and for adult growth hormone deficiency. In an effort to produce a product that would improve patient adherence, there has been a strong effort from industry to create a long acting form of growth hormone to ease the burden of use. Technologies used to increase half-life include depot formulations, PEGylated formulations, pro-drug formulations, non-covalent albumin binding growth hormone and growth hormone fusion proteins. At present, two long acting formulations are on the market in China and South Korea, and several more promising agents are under clinical investigation at various stages of development throughout the world. Arch Endocrinol Metab. 2019;63(6):601-7


Subject(s)
Humans , Child , Adult , Human Growth Hormone/administration & dosage , Growth Disorders/drug therapy , Drug Administration Schedule , Drug Design , Chemistry, Pharmaceutical , Human Growth Hormone/pharmacokinetics , Human Growth Hormone/chemistry , Delayed-Action Preparations
4.
Frontiers of Medicine ; (4): 277-284, 2019.
Article in English | WPRIM | ID: wpr-771310

ABSTRACT

The development of new proton-pump inhibitors (PPIs) with less adverse effects by lowering the pKa values of nitrogen atoms in pyrimidine rings has been previously suggested by our group. In this work, we proposed that new PPIs should have the following features: (1) number of ring II = number of ring I + 1; (2) preferably five, six, or seven-membered heteroatomic ring for stability; and (3) 1 < pKa1 < 4. Six molecular scaffolds based on the aforementioned criteria were constructed, and R groups were extracted from compounds in extensive data sources. A virtual molecule dataset was established, and the pKa values of specific atoms on the molecules in the dataset were calculated to select the molecules with required pKa values. Drug-likeness screening was further conducted to obtain the candidates that significantly reduced the adverse effects of long-term PPI use. This study provided insights and tools for designing targeted molecules in silico that are suitable for practical applications.


Subject(s)
Computer Simulation , Drug Design , Humans , Proton Pump Inhibitors , Toxicity , Toxicological Phenomena
5.
Rio de Janeiro; s.n; 2019. 111 p. ilus.
Thesis in Portuguese | LILACS | ID: biblio-1047181

ABSTRACT

O câncer de pulmão é a principal causa de morte relacionada ao câncer no mundo. Entre os seus subtipos, o câncer de pulmão de células não-pequenas (CPCNP) é o mais frequente. Apesar dos tratamentos disponíveis, a taxa de sobrevida ainda é baixa para este subtipo, enfatizando a necessidade de novas alternativas terapêuticas. Recentemente, a isoforma mitocondrial da enzima fosfoenolpiruvato carboxiquinase (HsPEPCK-M) foi apontada como responsável pela adaptação metabólica no CPCNP capaz de permitir o crescimento tumoral mesmo em condições de deficiência de glicose. Esta adaptação é possível devido a função da HsPEPCK-M na gliconeogênese, convertendo o oxaloacetato em fosfoenolpiruvato na presença de GTP, o que representa um papel importante no suporte energético desses tumores. Neste contexto, foi demonstrado que a inibição ou knockdown desta enzima foi capaz de induzir a apoptose em CPCNP em condições de baixa glicose. Estes dados realçam a importância de identificar inibidores eficazes para HsPEPCK-M que possam, potencialmente, se tornar uma alternativa para o tratamento do CPCNP


Neste estudo, novos inibidores putativos foram propostos para a PEPCK-M humana (HsPEPCK-M) com base em uma abordagem guiada por computador, incluindo a modelagem de farmacóforo baseada em estrutura e triagem por atracamento molecular. As hipóteses de farmacóforo geradas foram utilizadas para a triagem virtual do conjunto de compostos naturais do banco ZINC, produzindo 7.124 compostos candidatos. Estes foram submetidos à estudos de atracamento molecular utilizando três conformações de HsPEPCK-M geradas por modelagem comparativa. O objetivo foi selecionar compostos com alta afinidade de ligação predita em relação a pelo menos uma das conformações de HsPEPCK-M. Após o atracamento molecular, 612 moléculas foram selecionadas como potenciais inibidores de HsPEPCK-M. Estes compostos foram então agrupados de acordo com sua similaridade estrutural. A análise do perfil químico e as análises do modo de ligação destes compostos permitiram a proposta de quatro compostos promissores: ZINC01656421, ZINC895296, ZINC00895535 e ZINC02571340. Estes compostos podem ser considerados potenciais candidatos a inibidores de HsPEPCK-M e também podem ser utilizados como compostos líderes para o desenvolvimento de novos inibidores de HsPEPCK-M. (AU)


Subject(s)
Humans , Phosphoenolpyruvate Carboxykinase (GTP) , Drug Design , Lung Neoplasms
6.
Mem. Inst. Oswaldo Cruz ; 114: e180465, 2019. tab, graf
Article in English | LILACS | ID: biblio-984757

ABSTRACT

BACKGROUND Owing to increased spending on pharmaceuticals since 2010, discussions about rising costs for the development of new medical technologies have been focused on the pharmaceutical industry. Computational techniques have been developed to reduce costs associated with new drug development. Among these techniques, virtual high-throughput screening (vHTS) can contribute to the drug discovery process by providing tools to search for new drugs with the ability to bind a specific molecular target. OBJECTIVES In this context, Brazilian malaria molecular targets (BraMMT) was generated to execute vHTS experiments on selected molecular targets of Plasmodium falciparum. METHODS In this study, 35 molecular targets of P. falciparum were built and evaluated against known antimalarial compounds. FINDINGS As a result, it could predict the correct molecular target of market drugs, such as artemisinin. In addition, our findings suggested a new pharmacological mechanism for quinine, which includes inhibition of falcipain-II and a potential new antimalarial candidate, clioquinol. MAIN CONCLUSIONS The BraMMT is available to perform vHTS experiments using OCTOPUS or Raccoon software to improve the search for new antimalarial compounds. It can be retrieved from www.drugdiscovery.com.br or download of Supplementary data.


Subject(s)
Humans , Computational Biology/organization & administration , Molecular Docking Simulation , Drug Design
7.
Dental press j. orthod. (Impr.) ; 23(3): 47-57, May-June 2018. graf
Article in English | LILACS | ID: biblio-953032

ABSTRACT

ABSTRACT It is possible to unify three-dimensional customized orthodontic techniques and three-dimensional surgical technology. In this case report, it is introduced a treatment scheme consisting of passive self-ligation customized brackets and virtual surgical planning combined with the orthognathic surgery-first approach in a Class III malocclusion patient. Excellent facial and occlusal outcomes were obtained in a reduced treatment time of five months.


RESUMO É possível unificar técnicas ortodônticas personalizadas e tecnologia de planejamento cirúrgico 3D. No presente relato de caso, apresenta-se um plano de tratamento envolvendo o uso de braquetes autoligáveis passivos personalizados e planejamento cirúrgico virtual, combinado com cirurgia ortognática de benefício antecipado, em um paciente com má oclusão de Classe III. Foram obtidos excelentes resultados faciais e oclusais em um tempo reduzido de tratamento, de 5 meses.


Subject(s)
Humans , Male , Young Adult , Patient Care Planning , Drug Design , Orthodontic Brackets , Malocclusion, Angle Class III/therapy , Orthodontic Appliance Design , Imaging, Three-Dimensional , Cone-Beam Computed Tomography , Malocclusion, Angle Class III/surgery , Malocclusion, Angle Class III/diagnostic imaging
8.
Article in English | WPRIM | ID: wpr-773594

ABSTRACT

The therapeutic application of deoxypodophyllotoxin (DPT) is limited due to its poor water solubility and stability. In the present study, the micelles assembled by the amphiphilic block copolymers (mPEG-PDLLA) were constructed to improve the solubility and safety of DPT for their in vitro and in vivo application. The central composite design was utilized to develop the optimal formulation composed of 1221.41 mg mPEG-PDLLA, the weight ratio of 1 : 4 (mPEG-PDLLA : DPT), 30 mL hydration volume and the hydration temperature at 40 °C. The results showed that the micelles exhibited uniformly spherical shape with the diameter of 20 nm. The drug-loading and entrapment efficiency of deoxypodophyllotoxin-polymeric micelles (DPT-PM) were about (20 ± 2.84)% and (98 ± 0.79)%, respectively, indicating that the mathematical models predicted well for the results. Compared to the free DPT, the cytotoxicity showed that blank micelles possessed great safety for Hela cells. In addition, the DPT loaded micelle formulation achieved stronger cytotoxicity at the concentration of 1 × 10 mol·L, which showed significant difference from free DPT (P < 0.05). In conclusion, the micelles were highly promising nano-carriers for the anti-tumor therapy with DPT.


Subject(s)
Antineoplastic Agents , Chemistry , Toxicity , Cell Survival , Drug Carriers , Chemistry , Drug Delivery Systems , Methods , Drug Design , HeLa Cells , Humans , Micelles , Particle Size , Podophyllotoxin , Chemistry , Toxicity , Polyesters , Chemistry , Polyethylene Glycols , Chemistry , Solubility , Surface Properties
9.
Article in English | WPRIM | ID: wpr-773562

ABSTRACT

A series of berberine derivatives were synthesized by introducing substituted benzyl groups at C-9. All these synthesized compounds (4a-4m) were screened for their in vitro antibacterial activity against four Gram-positive bacteria and four Gram-negative bacteria and evaluated for their antifungal activity against three pathogenic fungal strains. All these compounds displayed good antibacterial and antifungal activities, compared to reference drugs including Ciprofloxacin and Fluconazole; Compounds 4f, 4g, and 4l showed the highest antibacterial and antifungal activities. Moreover, all the synthesized compounds were docked into topoisomerase II-DNA complex, which is a crucial drug target for the treatment of microbial infections. Docking results showed that H-bond, π-π stacked, π-cationic, and π-anionic interactions were responsible for the strong binding of the compounds with the target protein-DNA complex.


Subject(s)
Anti-Bacterial Agents , Chemistry , Pharmacology , Antifungal Agents , Chemistry , Pharmacology , Bacteria , Berberine , Chemistry , Pharmacology , Drug Design , Fungi , Molecular Docking Simulation , Structure-Activity Relationship
10.
Article in English | WPRIM | ID: wpr-773561

ABSTRACT

A series of new hybrids of dehydroandrographolide (TAD), a biologically active natural product, bearing nitric oxide (NO)-releasing moieties were synthesized and designated as NO-donor dehydroandrographolide. The biological activities of target compounds were studied in human erythroleukemia K562 cells and breast cancer MCF-7 cells. Biological evaluation indicated that the most active compound I-5 produced high levels of NO and inhibited the proliferation of K562 (IC 1.55 μmol·L) and MCF-7 (IC 2.91 μmol·L) cells, which were more potent than the lead compound TAD and attenuated by an NO scavenger. In conclusion, I-5 is a novel hybrid with potent antitumor activity and may become a promising candidate for future intensive study.


Subject(s)
Antineoplastic Agents , Chemistry , Cell Proliferation , Diterpenes , Chemistry , Pharmacology , Drug Design , Drug Screening Assays, Antitumor , Humans , K562 Cells , MCF-7 Cells , Nitric Oxide , Chemistry , Pharmacology , Structure-Activity Relationship
11.
Article in English | WPRIM | ID: wpr-741612

ABSTRACT

The present study was undertaken to investigate the isolated compounds from the stem bark of Garcinia atroviridis as potential cholinesterase inhibitors and the ligand-enzyme interactions of selected bioactive compounds in silico. The in vitro cholinesterase results showed that quercetin (3) was the most active AChE inhibitor (12.65 ± 1.57 µg/ml) while garcinexanthone G (6) was the most active BChE inhibitor (18.86 ± 2.41 µg/ml). It is noteworthy to note that compound 6 was a selective inhibitor with the selectivity index of 11.82. Molecular insight from docking interaction further substantiate that orientation of compound 6 in the catalytic site which enhanced its binding affinity as compared to other xanthones. The nature of protein-ligand interactions of compound 6 is mainly hydrogen bonding, and the hydroxyl group of compound 6 at C-10 is vital in BChE inhibition activity. Therefore, compound 6 is a notable lead for further drug design and development of BChE selective inhibitor.


Subject(s)
Butyrylcholinesterase , Catalytic Domain , Cholinesterase Inhibitors , Cholinesterases , Computer Simulation , Drug Design , Garcinia , Hydrogen Bonding , In Vitro Techniques , Quercetin , Xanthones
12.
Mem. Inst. Oswaldo Cruz ; 113(8): e170452, 2018. tab, graf
Article in English | LILACS | ID: biblio-955116

ABSTRACT

BACKGROUND Malaria is responsible for 429,000 deaths per year worldwide, and more than 200 million cases were reported in 2015. Increasing parasite resistance has imposed restrictions to the currently available antimalarial drugs. Thus, the search for new, effective and safe antimalarial drugs is crucial. Heterocyclic compounds, such as dihydropyrimidinones (DHPM), synthesised via the Biginelli multicomponent reaction, as well as bicyclic compounds synthesised from DHPMs, have emerged as potential antimalarial candidates in the last few years. METHODS Thirty compounds were synthesised employing the Biginelli multicomponent reaction and subsequent one-pot substitution/cyclisation protocol; the compounds were then evaluated in vitro against chloroquine-resistant Plasmodium falciparum parasites (W2 strain). Drug cytotoxicity in baseline kidney African Green Monkey cells (BGM) was also evaluated. The most active in vitro compounds were evaluated against P. berghei parasites in mice. Additionally, we performed an in silico target fishing approach with the most active compounds, aiming to shed some light into the mechanism at a molecular level. RESULTS The synthetic route chosen was effective, leading to products with high purity and yields ranging from 10-84%. Three out of the 30 compounds tested were identified as active against the parasite and presented low toxicity. The in silico study suggested that among all the molecular targets identified by our target fishing approach, Protein Kinase 3 (PK5) and Glycogen Synthase Kinase 3β (GSK-3β) are the most likely molecular targets for the synthesised compounds. CONCLUSIONS We were able to easily obtain a collection of heterocyclic compounds with in vitro anti-P. falciparum activity that can be used as scaffolds for the design and development of new antiplasmodial drugs.


Subject(s)
Drug Design , Parasitic Sensitivity Tests , Antimalarials/chemical synthesis , Antimalarials/pharmacology , Pyrimidinones , Pyrroles
13.
Braz. J. Pharm. Sci. (Online) ; 54(spe): e01010, 2018. tab, graf
Article in English | LILACS | ID: biblio-974423

ABSTRACT

The pharmaceutical industry is increasingly joining chemoinformatics in the search for the development of new drugs to be used in the treatment of diseases. These computational studies have the advantage of being less expensive and optimize the study time, and thus the interest in this area is increasing. Among the techniques used is the development of multitarget directed ligands (MTDLs), which has become an ascending technique, mainly due to the improvement in the quality of treatment involving several drugs. Multitarget therapy is more effective than traditional drug therapy that emphasizes maximum selectivity for a single target. In this review a multitarget drug survey was carried out as a promising strategy in several important diseases: neglected diseases, neurodegenerative diseases, AIDS, and cancer. In addition, we discuss Computer-Aided Drug Design (CADD) techniques as a tool in the projection of multitarget compounds against these diseases.


Subject(s)
Computer Simulation/statistics & numerical data , Drug Design , Software Design , Disease/classification , Reference Drugs
14.
Article in English | WPRIM | ID: wpr-812383

ABSTRACT

The therapeutic application of deoxypodophyllotoxin (DPT) is limited due to its poor water solubility and stability. In the present study, the micelles assembled by the amphiphilic block copolymers (mPEG-PDLLA) were constructed to improve the solubility and safety of DPT for their in vitro and in vivo application. The central composite design was utilized to develop the optimal formulation composed of 1221.41 mg mPEG-PDLLA, the weight ratio of 1 : 4 (mPEG-PDLLA : DPT), 30 mL hydration volume and the hydration temperature at 40 °C. The results showed that the micelles exhibited uniformly spherical shape with the diameter of 20 nm. The drug-loading and entrapment efficiency of deoxypodophyllotoxin-polymeric micelles (DPT-PM) were about (20 ± 2.84)% and (98 ± 0.79)%, respectively, indicating that the mathematical models predicted well for the results. Compared to the free DPT, the cytotoxicity showed that blank micelles possessed great safety for Hela cells. In addition, the DPT loaded micelle formulation achieved stronger cytotoxicity at the concentration of 1 × 10 mol·L, which showed significant difference from free DPT (P < 0.05). In conclusion, the micelles were highly promising nano-carriers for the anti-tumor therapy with DPT.


Subject(s)
Antineoplastic Agents , Chemistry , Toxicity , Cell Survival , Drug Carriers , Chemistry , Drug Delivery Systems , Methods , Drug Design , HeLa Cells , Humans , Micelles , Particle Size , Podophyllotoxin , Chemistry , Toxicity , Polyesters , Chemistry , Polyethylene Glycols , Chemistry , Solubility , Surface Properties
15.
Article in English | WPRIM | ID: wpr-812351

ABSTRACT

A series of berberine derivatives were synthesized by introducing substituted benzyl groups at C-9. All these synthesized compounds (4a-4m) were screened for their in vitro antibacterial activity against four Gram-positive bacteria and four Gram-negative bacteria and evaluated for their antifungal activity against three pathogenic fungal strains. All these compounds displayed good antibacterial and antifungal activities, compared to reference drugs including Ciprofloxacin and Fluconazole; Compounds 4f, 4g, and 4l showed the highest antibacterial and antifungal activities. Moreover, all the synthesized compounds were docked into topoisomerase II-DNA complex, which is a crucial drug target for the treatment of microbial infections. Docking results showed that H-bond, π-π stacked, π-cationic, and π-anionic interactions were responsible for the strong binding of the compounds with the target protein-DNA complex.


Subject(s)
Anti-Bacterial Agents , Chemistry , Pharmacology , Antifungal Agents , Chemistry , Pharmacology , Bacteria , Berberine , Chemistry , Pharmacology , Drug Design , Fungi , Molecular Docking Simulation , Structure-Activity Relationship
16.
Article in English | WPRIM | ID: wpr-812350

ABSTRACT

A series of new hybrids of dehydroandrographolide (TAD), a biologically active natural product, bearing nitric oxide (NO)-releasing moieties were synthesized and designated as NO-donor dehydroandrographolide. The biological activities of target compounds were studied in human erythroleukemia K562 cells and breast cancer MCF-7 cells. Biological evaluation indicated that the most active compound I-5 produced high levels of NO and inhibited the proliferation of K562 (IC 1.55 μmol·L) and MCF-7 (IC 2.91 μmol·L) cells, which were more potent than the lead compound TAD and attenuated by an NO scavenger. In conclusion, I-5 is a novel hybrid with potent antitumor activity and may become a promising candidate for future intensive study.


Subject(s)
Antineoplastic Agents , Chemistry , Cell Proliferation , Diterpenes , Chemistry , Pharmacology , Drug Design , Drug Screening Assays, Antitumor , Humans , K562 Cells , MCF-7 Cells , Nitric Oxide , Chemistry , Pharmacology , Structure-Activity Relationship
18.
Ciênc. Saúde Colet ; 22(8): 2559-2569, Ago. 2017. tab
Article in Portuguese | LILACS | ID: biblio-890407

ABSTRACT

Resumo O objetivo deste artigo é discutir e analisar os desafios do desenvolvimento da indústria de plantas medicinais e de fitoterápicos no Brasil. Esta indústria representa uma excelente alternativa para responder ao paradoxo da abundância na área de saúde. A metodologia adotada foi uma pesquisa de campo, utilizando-se questionários semiestruturados, com empresas, pesquisadores e gestores públicos para avaliar seu desenvolvimento entre 2009 e 2015 e apontar seus principais problemas. Os resultados observados indicam que os principais desafios são, na pesquisa, a regulamentação da lei de acesso ao patrimônio genético e, na produção, a harmonização da regulamentação em toda a cadeia produtiva da indústria de plantas medicinais e fitoterápicos. A morosidade da implantação das políticas públicas voltadas para a indústria mostra um retrocesso tanto das atividades produtivas com fitoterápicos, quanto das atividades de pesquisa com plantas medicinais no período.


Abstract The purpose of this article is to discuss and analyze the development challenges of the medicinal plants and phytotherapics industry in Brazil. This industry represents an excellent alternative to face the paradox of abundance that exists in the health area. The methodology adopted was a field research, using semi-structured questionnaires with companies, researchers and public managers to evaluate their development between 2009 and 2015 and to point out the most serious problems faced. The results observed indicate that the main challenges found were the regulation of law on the access to the genetic patrimony in the research area, and to bring into harmony the rules in the entire chain of medicinal plants and phytotherapics production area. The slow implementation pace of public policies for the industry shows a setback regarding both productive and research activities with medicinal plants and phytotherapics in the period.


Subject(s)
Humans , Plants, Medicinal/chemistry , Plant Preparations/therapeutic use , Drug Industry/organization & administration , Phytotherapy , Public Policy , Research/organization & administration , Brazil , Drug Design , Surveys and Questionnaires , Drug Industry/legislation & jurisprudence
19.
Rev. Fac. Odontol. (B.Aires) ; 32(72): 22-31, ene.-jun. 2017. ilus
Article in Spanish | LILACS | ID: biblio-908089

ABSTRACT

En los últimos tiempos, las técnicas computacionales se han constituido en valiosas herramientas para la investigación de sistemas biológicos. Ellas pueden guiar proyectos y complementar métodos experimentales en diversas áreas de aplicación, como la medicina, alimentación y agricultura. En este artículo resumimos y actualizamos los principales conocimientos acerca de los métodos utilizados por la bioinformática y brindamos algunos ejemplos de sus contribuciones en distintos campos. Enfatizamos en el diseño y descubrimiento de nuevas drogas de origen natural, principalmente antimicrobianas. En este sentido, la búsqueda de nuevos medicamentos y estrategias farmacológicas está plenamente justificada por distintas razones, que incluyen la emergencia de resistencia e interacciones farmacológicas, particularmente en pacientes inmunocomprometidos.


In the last times, computational techniques have become valuable tools for research of biological systems. They can lead and complementexperimental methods in different fields of application such as medicine, bromatology and agriculture.In this review we summarize the main knowledge on bioinformatic tools and give some examples of their contributions in diverseknowledge areas. We make emphasis in the design and discovery of new potential drugs, mainly antimicrobial agents of natural origin.In this sense, the search for new medicaments or pharmacological strategies is fully justified because of different reasons, includingemergence of resistance and pharmacological interactions, in particular in immunocompromised patients.


Subject(s)
Humans , Biological Products , Computational Biology , Anti-Infective Agents/pharmacology , Anti-Infective Agents/therapeutic use , Drug Design , Drug Interactions , Models, Educational
20.
Ciênc. saúde coletiva ; 22(1): 107-116, jan. 2017.
Article in Portuguese | LILACS | ID: biblio-839910

ABSTRACT

Resumo O artigo analisa a assimilação de conhecimentos e o desenvolvimento de práticas clínicas e de pesquisa, concernentes aos hormônios sexuais, entre ginecologistas brasileiros. Discute o percurso do pensamento médico da recepção dos hormônios à sua transformação em contraceptivos. O objetivo é compreender estilos de introdução e difusão de tecnologias médicas na área da saúde reprodutiva no Brasil. Utiliza métodos de análise histórica e tem como fonte os Anais Brasileiros de Ginecologia, revista publicada entre 1936 e 1970. O acompanhamento das novidades cientificas sobre hormônios sexuais e seu uso para tratamento de diversas mazelas femininas, desde os primórdios, foi de grande importância para a rápida aceitação médica da contracepção hormonal. Questões científicas e técnicas (efeitos colaterais, dosagens) e a questão populacional compuseram a maior parte dos debates. Objeções da Igreja Católica foram consideradas, mas não pautaram o pensamento médico sobre os contraceptivos. A busca de consolidar a ginecologia como especialidade científica, moderna e cosmopolita e razões sanitárias e demográficas que possibilitavam enquadrar contraceptivos como drogas éticas, são processos subjacentes à assimilação e à metabolização dos hormônios sexuais como contraceptivos hormonais.


Abstract The article analyses knowledge assimilation and the development of clinical and research practices relating to sex hormones among Brazilian gynaecologists. It discusses the paths taken by medical thought from the reception of the hormones to their transformation into contraceptives. Our objective is to comprehend styles of introducing and disseminating medical technologies in the area of reproductive health in Brazil. It uses methods of historical analysis and takes as its source the Anais Brasileiros de Ginecologia, a journal published between 1936 and 1970. From the outset, the accompaniment of scientific breakthroughs in relation to sex hormones and their use to treat diverse female illnesses played a key role in the rapid medical acceptance of hormonal contraception. Scientific and technical questions (side effects, dosages) and the demographic issue formed part of the majority of the debates. Objections from the Catholic Church were considered but did not set the agenda of medical thought on contraceptives. The quest to consolidate gynaecology as a scientific, modern and cosmopolitan area of expertise, along with sanitary and demographic motives that allowed contraceptives to be classed as ethical drugs, are identified as processes underlying the assimilation and metabolization of sex hormones as hormonal contraceptives.


Subject(s)
Humans , Female , Biomedical Research/methods , Contraceptive Agents, Female/administration & dosage , Drug Design , Gonadal Steroid Hormones/administration & dosage , Biomedical Technology/methods , Brazil , Diffusion of Innovation , Gynecology
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