Imane Bjij
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View article: Covalent Flexible Peptide Docking in Drug Discovery: Current Challenges and Potential Interventions
Covalent Flexible Peptide Docking in Drug Discovery: Current Challenges and Potential Interventions Open
Recently, there has been a significant increase in the search for new covalent inhibitors through drug discovery platforms, which has led to the development and implementation of new computational tools, including covalent docking methods …
View article: Host Cell Proteases Mediating SARS-CoV-2 Entry: An Overview
Host Cell Proteases Mediating SARS-CoV-2 Entry: An Overview Open
The outbreak of the SARS-CoV-2 virus in late 2019 and the spread of the COVID-19 pandemic have caused severe health and socioeconomic damage worldwide. Despite the significant research effort to develop vaccines, antiviral treatments, and …
View article: Monte Carlo Method and GA-MLR-Based QSAR Modeling of NS5A Inhibitors against the Hepatitis C Virus
Monte Carlo Method and GA-MLR-Based QSAR Modeling of NS5A Inhibitors against the Hepatitis C Virus Open
Hepatitis C virus (HCV) is a serious disease that threatens human health. Despite consistent efforts to inhibit the virus, it has infected more than 58 million people, with 300,000 deaths per year. The HCV nonstructural protein NS5A plays …
View article: In silico design and analysis of NS4B inhibitors against hepatitis C virus
In silico design and analysis of NS4B inhibitors against hepatitis C virus Open
The hepatitis C virus is a communicable disease that gradually harms the liver leading to cirrhosis and hepatocellular carcinoma. Important therapeutic interventions have been reached since the discovery of the disease. However, its resurg…
View article: Tracing Potential Covalent Inhibitors of an E3 Ubiquitin Ligase Through Target-Focused Modelling
Tracing Potential Covalent Inhibitors of an E3 Ubiquitin Ligase Through Target-Focused Modelling Open
The Nedd4-1 E3 Ubiquitin ligase has been implicated in multiple disease conditions due its overexpression. Although the Nedd4-1 E3 Ubiquitin ligase is an enzyme that may be targeted either covalently, or non-covalently, there are few studi…
View article: Tracing Potential Covalent Inhibitors of an E3 Ubiquitin Ligase through Target-Focused Modelling
Tracing Potential Covalent Inhibitors of an E3 Ubiquitin Ligase through Target-Focused Modelling Open
The Nedd4-1 E3 Ubiquitin ligase has been implicated in multiple disease conditions due its overexpression. Although the enzyme may be targeted both covalently and non-covalently, minimal studies provide effective inhibitors against it. Rec…
View article: In Silico SAR Studies of HIV-1 Inhibitors
In Silico SAR Studies of HIV-1 Inhibitors Open
Quantitative Structure Activity Relationships (QSAR or SAR) have helped scientists to establish mathematical relationships between molecular structures and their biological activities. In the present article, SAR studies have been carried …
View article: <strong>SAR Studies for the <em>in-silico</em> Prediction of HIV-1 Inhibitors</strong>
<strong>SAR Studies for the <em>in-silico</em> Prediction of HIV-1 Inhibitors</strong> Open
Tetrahydroimidazo[4,5,1jk][1,4]benzodiazepines (TIBO), as non-nucleoside analogues, constitute potent inhibitors of HIV-1 reverse transcriptase. In the present study, classification structure-activity relationship (SAR) models are develope…