Search Results - "de Melo, Eduardo B."

MACHINE LEARNING-BASED VIRTUAL SCREENING, MOLECULAR DOCKING, DRUG-LIKENESS, PHARMACOKINETICS AND TOXICITY ANALYSES TO IDENTIFY NEW NATURAL INHIBITORS OF THE GLYCOPROTEIN SPIKE (S1) OF SARS-CoV-2 by Cobre, Alexandre, Böger, Beatriz, Fachi, Mariana, Ehrenfried, Carlos, Stremel, Dile, De Melo, Eduardo, Tonin, Fernanda, Pontarolo, Roberto

“…To identify natural bioactive compounds (NBCs) as potential inhibitors of spike (S1) by means of in silico assays. NBCs with previously proven biological in…”
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Insights on 3D Structures of Potential Drug‐targeting Proteins of SARS‐CoV‐2: Application of Cavity Search and Molecular Docking by Fernandes, Mariana S., Silva, Francielly S., Freitas, Ana Carolina S. G., Melo, Eduardo B., Trossini, Gustavo H. G., Paula, Fávero R.

“…The emergence of the COVID‐19 has caused public health problems worldwide and there is no effective pharmacological treatment for this disease. Research on 3D…”
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Synthesis and SAR of new isoxazole-triazole bis-heterocyclic compounds as analogues of natural lignans with antiparasitic activity by Zimmermann, Lara A., de Moraes, Milene H., da Rosa, Rafael, de Melo, Eduardo B., Paula, Fávero R., Schenkel, Eloir P., Steindel, Mario, Bernardes, Lílian S.C.

“…[Display omitted] •42 bis-heterocyclic analogues of natural lignans were synthesized.•All compounds had their trypanocidal and leishmanicidal activities…”
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Quantitative structure-activity relationship and machine learning studies of 2-thiazolylhydrazone derivatives with anti-Cryptococcus neoformans activity by Fernandes, Philipe de Oliveira, Martins, João Paulo A., de Melo, Eduardo B., de Oliveira, Renata Barbosa, Kronenberger, Thales, Maltarollo, Vinícius Gonçalves

“…Cryptococcus neoformans is a fungus responsible for infections in humans with a significant number of cases in immunosuppressed patients, mainly in…”
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In silico Risk Assessment Studies of New Psychoactive Substances Derived from Amphetamines and Cathinones by de Melo, Eduardo, Martins, João, Rodrigues, Caio, Bruni, Aline

“…The amount and variety of new psychoactive substances (NPS) are expanding, and there are difficulties in assessing their risks. In this regard, in silico…”
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4D-QSAR Study of 17β-Hydroxysteroid Dehydrogenase Type 3 Inhibitors by Martins, João Paulo, de Melo, Eduardo

“…Prostate cancer is one of the most common form of cancer among men, and its incidence has been increasing progressively. Since the prostate depends on…”
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Synthesis of Nerol Derivatives Containing a 1,2,3-Triazole Moiety and Evaluation of Their Activities against Cancer Cell Lines by Teixeira, Róbson, da Silva, Adalberto, Siqueira, Raoni, Gonçalves, Victor Hugo, Pereira, Higor, Ferreira, Rafaela, Costa, Adilson, de Melo, Eduardo, Paula, Fávero, Ferreira, Márcia, Bressan, Gustavo

“…In the present investigation, a collection of twenty two nerol derivatives, containing 1,2,3-triazolic appendages, was synthesized and screened in vitro for…”
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Four-Dimensional Structure–Activity Relationship Model to Predict HIV-1 Integrase Strand Transfer Inhibition using LQTA-QSAR Methodology by de Melo, Eduardo B, Ferreira, Márcia M. C

“…Despite highly active antiretroviral therapy (HAART) implementation, there is a continuous need to search for new anti-HIV agents. HIV-1 integrase (HIV-1 IN)…”
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Multivariate SAR and QSAR of cucurbitacin derivatives as cytotoxic compounds in a human lung adenocarcinoma cell line by Lang, Karen L., Silva, Izabella T., Machado, Vanessa R., Zimmermann, Lara A., Caro, Miguel S.B., Simões, Cláudia M.O., Schenkel, Eloir P., Durán, Fernando J., Bernardes, Lílian S.C., de Melo, Eduardo B.

“…•Cucurbitacins are natural products known for their several pharmacological properties.•A data set with 43 cucurbitacins derivatives was used for a SAR/QSAR…”
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Synthesis of (+)-(2 R,3 S,4 R)-2,3,4-trihydroxycyclohexanone from d-glucose by Carvalho, Ivone, de Melo, Eduardo B.

“…Graphic We have described the synthesis of (+)-(2 R,3 S,4 R)-2,3,4-trihydroxycyclohexanone by the reduction of a keto-conduritol derivative, the latter being…”
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Estudo da relação estrutura-atividade quantitativa de dibenzoilmetanos α-substituídos quanto à atividade anticâncer da mama (linhagem celular MCF7) by Lima Neto, Quirino A. da, Nogueira, Marisa A., Reis, Ralpho R. dos, Melo, Eduardo B. de

“…O objetivo deste trabalho foi estudar, de forma quantitativa, as relações entre a estrutura química de nove derivados de dibenzoilmetanos e a atividade…”
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