Molecular Dynamics Simulation and Pharmacoinformatic Integrated Analysis of Bioactive Phytochemicals from Azadirachta indica (Neem) to Treat Diabetes Mellitus
A Abdullah, P Biswas, M Sahabuddin… - Journal of …, 2023 - Wiley Online Library
Diabetes mellitus is a chronic hormonal and metabolic disorder in which our body cannot
generate necessary insulin or does not act in response to it, accordingly, ensuing in …
generate necessary insulin or does not act in response to it, accordingly, ensuing in …
Exploration of computational aids for effective drug designing and management of viral diseases: A comprehensive review
T Khan, S Raza - Current Topics in Medicinal Chemistry, 2023 - ingentaconnect.com
Background: Microbial diseases, specifically originating from viruses are the major cause of
human mortality all over the world. The current COVID-19 pandemic is a case in point …
human mortality all over the world. The current COVID-19 pandemic is a case in point …
Anti-HIV potential of diarylpyrimidine derivatives as non-nucleoside reverse transcriptase inhibitors: Design, synthesis, docking, TOPKAT analysis and molecular …
In view of the low toxicity of NNRTIs in comparison to NRTIs, a new series of diarylpyrimidine
derivatives has been designed as NNRTIs against HIV-1. In silico studies using DS 3.0 …
derivatives has been designed as NNRTIs against HIV-1. In silico studies using DS 3.0 …
Interaction mechanism of flavonoids and Tartary buckwheat bran protein: A fluorescence spectroscopic and 3D-QSAR study
Y Yu, G Liang, H Wang - Food Research International, 2022 - Elsevier
Tartary buckwheat bran protein (TBBP) is a valuable by-product of Tartary buckwheat
processing. Current studies have indicated that TBBP is a desirable carrier and protector of …
processing. Current studies have indicated that TBBP is a desirable carrier and protector of …
Field and atom-based 3D-QSAR models of chromone (1-benzopyran-4-one) derivatives as MAO inhibitors
Monoamine oxidases (MAOs) are flavo-enzymes that aid in the oxidative deamination of
neurotransmitters like dopamine, serotonin, and epinephrine. MAO inhibitors are …
neurotransmitters like dopamine, serotonin, and epinephrine. MAO inhibitors are …
In vitro anthelmintic activities of Khaya anthotheca and Faidherbia albida extracts used in Chad by traditional healers for the treatment of helminthiasis and in silico …
B Christalin, M Besati… - Journal of Tropical …, 2024 - Wiley Online Library
Background. Helminthiasis is endemic in Chad and constitutes a public health problem,
particularly among school‐age children. The aim of this study was to evaluate the …
particularly among school‐age children. The aim of this study was to evaluate the …
In silico design, synthesis and anti-HIV activity of quinoline derivatives as non-nucleoside reverse transcriptase inhibitors (NNRTIs)
A series of quinoline derivatives has been designed, synthesized and screened for their anti-
HIV properties. The drug-like properties of compounds were evaluated first and then …
HIV properties. The drug-like properties of compounds were evaluated first and then …
Pharmacophore-based virtual screening, molecular docking and molecular dynamics studies for the discovery of novel neuraminidase inhibitors
The in silico evaluation of 27 p-aminosalicylic acid derivatives, also referred to as
neuraminidase inhibitors was the focus of the current study. To search and predict new …
neuraminidase inhibitors was the focus of the current study. To search and predict new …
A Computational approach to discover potential quinazoline derivatives against CDK4/6 kinase
CDK is a protein (serine-threonine) kinase family that plays an important role in the cell cycle
and oncogenic transformation processes. This controls the activity of an enzyme involved in …
and oncogenic transformation processes. This controls the activity of an enzyme involved in …
Structural aspects of triazole derivatives as HSP90 inhibitors for the treatment of cancer: in silico studies
HSP90, one important class of chaperons has been intensively investigated as a promising
and novel class of drug target for cancer therapy from the past few decades. A series of 2-((4 …
and novel class of drug target for cancer therapy from the past few decades. A series of 2-((4 …