Search Results - "Maia Neto, Moisés"
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Naringenin-4'-glucuronide as a new drug candidate against the COVID-19 Omicron variant: a study based on molecular docking, molecular dynamics, MM/PBSA and MM/GBSA
Published in Journal of biomolecular structure & dynamics (23-07-2024)“…This study aimed to identify natural bioactive compounds (NBCs) as potential inhibitors of the spike (S1) receptor binding domain (RBD) of the COVID-19 Omicron…”
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Identifying 124 new anti-HIV drug candidates in a 37 billion-compound database: An integrated approach of machine learning (QSAR), molecular docking, and molecular dynamics simulation
Published in Chemometrics and intelligent laboratory systems (15-07-2024)“…Recent data from the World Health Organization reveals that in 2023, 38.8 million people were living with HIV. Within this population, there were 1.5 million…”
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Screening of Potential Inhibitors Targeting the Main Protease Structure of SARS-CoV-2 via Molecular Docking, and Approach with Molecular Dynamics, RMSD, RMSF, H-Bond, SASA and MMGBSA
Published in Molecular biotechnology (01-08-2024)“…Severe Acute Respiratory Syndrome caused by a coronavirus is a recent viral infection. There is no scientific evidence or clinical trials to indicate that…”
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Combined study of docking and molecular dynamics against DNV-3 SN1 protein by bixinoids
Published in Journal of biomolecular structure & dynamics (03-07-2023)“…Dengue (DENV), Zica virus (ZIKV), and Chikungunya fever (CHIK) are tropical diseases that have caused a lot of problems in general worldwide. Transmitted by…”
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