Advances in computational methods to discover new NS2B-NS3 inhibitors useful against dengue and Zika viruses

IJ dos Santos Nascimento… - Current Topics in …, 2022 - ingentaconnect.com
The Flaviviridae virus family consists of the genera Hepacivirus, Pestivirus, and Flavivirus,
with approximately 70 viral types that use arthropods as vectors. Among these diseases …

Exploring N-myristoyltransferase as a promising drug target against parasitic neglected tropical diseases

IJ dos Santos Nascimento, MAT Cavalcanti… - European Journal of …, 2023 - Elsevier
Neglected tropical diseases (NTDs) constitute a group of approximately 20 infectious
diseases that mainly affect the impoverished population without basic sanitation in tropical …

The new era of drug discovery: The power of computer-aided drug design (CADD)

IJS Nascimento, TM de Aquino… - Letters in Drug …, 2022 - ingentaconnect.com
Drug design and discovery is a process that requires high financial costs and is
timeconsuming. For many years, this process focused on empirical pharmacology. However …

[HTML][HTML] Anxiolytic-like effect of quercetin possibly through GABA receptor interaction pathway: In vivo and in silico studies

MS Islam, R Hossain, T Ahmed, MM Rahaman… - Molecules, 2022 - mdpi.com
Scientific evidence suggests that quercetin (QUR) has anxiolytic-like effects in experimental
animals. However, the mechanism of action responsible for its anxiolytic-like effects is yet to …

[HTML][HTML] Quercetin and/or Ascorbic Acid Modulatory Effect on Phenobarbital-Induced Sleeping Mice Possibly through GABAA and GABAB Receptor Interaction …

R Hossain, K Al-Khafaji, RA Khan, C Sarkar, MS Islam… - Pharmaceuticals, 2021 - mdpi.com
Depressive disorder is a recurrent illness that affects large numbers of the general
population worldwide. In recent years, the goal of depression treatment has moved from …

Repurposing FDA-approved drugs targeting SARS-CoV2 3CLpro: a study by applying virtual screening, molecular dynamics, MM-PBSA calculations and Covalent …

IJ Santos Nascimento, TM Aquino… - Letters in Drug …, 2022 - ingentaconnect.com
Background: Since the end of 2019, the etiologic agent SAR-CoV-2 responsible for one of
the most significant epidemics in history has caused severe global economic, social, and …

Strategies in medicinal chemistry to discover new hit compounds against ebola virus: Challenges and perspectives in drug discovery

IJ dos Santos Nascimento… - Mini Reviews in …, 2022 - ingentaconnect.com
Ebola Virus (EBOV) is an infectious disease that mainly affects the cardiovascular system. It
belongs to the Filoviridae family, consisting of filamentous envelopes and non-segmented …

[PDF][PDF] Synergistic hypnotic effects of sesamol and thymol possibly through GABAergic interaction pathway: in vivo and in silico studies

MS Akbor, MH Bappi, AAS Prottay… - J. Biol. Regul …, 2023 - researchgate.net
Background: Sleep is essential to human homeostasis and affects the immune system.
Sleep disorders are a group of conditions that disturb normal sleep patterns and can affect …

[HTML][HTML] The Power of Molecular Dynamics Simulations and Their Applications to Discover Cysteine Protease Inhibitors

IJ dos Santos Nascimento, JNS Gomes… - Mini Reviews in …, 2024 - ncbi.nlm.nih.gov
A large family of enzymes with the function of hydrolyzing peptide bonds, called peptidases
or cysteine proteases (CPs), are divided into three categories according to the peptide chain …

Insights on Microsomal Prostaglandin E2 Synthase 1 (mPGES-1) Inhibitors using Molecular Dynamics and MM/PBSA Calculations

IJ dos Santos Nascimento… - Letters in Drug …, 2024 - ingentaconnect.com
Background: Despite being a normal body response against invading agents, inflammation,
when exaggerated, needs to be controlled to minimize damage to the body. There are …