[HTML][HTML] Ligand based-design of potential schistosomiasis inhibitors through QSAR, homology modeling, molecular dynamics, pharmacokinetics, and DFT studies
Schistosomiasis, also known as bilharzia or snail fever, is a tropical disease caused by
parasitic flatworms belonging to the Schistosoma genus. This disease remains a prevalent …
parasitic flatworms belonging to the Schistosoma genus. This disease remains a prevalent …
Cheminformatics study of some indole compounds through QSAR modeling, ADME prediction, molecular docking, and molecular dynamic simulation to identify novel …
The hepatitis C virus is a viral disease that causes cirrhosis and hepatocellular carcinoma in
the liver. Since the virus's discovery, significant therapeutic advances have been made …
the liver. Since the virus's discovery, significant therapeutic advances have been made …
Structure-Activity Relationship Studies on VEGFR2 Tyrosine Kinase Inhibitors for Identification of Potential Natural Anticancer Compounds
Background: Over-expression of Vascular Endothelial Growth Factor Receptors (VEGFRs)
leads to the hyperactivation of oncogenes. For inhibition of this hyperactivation, the USA …
leads to the hyperactivation of oncogenes. For inhibition of this hyperactivation, the USA …
Molecular docking investigation and pharmacokinetic properties prediction of some anilinopyrimidines analogues as egfr t790m tyrosine kinase inhibitors
The most common and deadly type of lung cancers around the globe was the non-small-cell
lung cancer with approximately 1.5 million cases and a 5-year survival rate of less than 20 …
lung cancer with approximately 1.5 million cases and a 5-year survival rate of less than 20 …
Quantitative structure-activity relationship, molecular docking and ADMET screening of Tetrahydroquinoline derivatives as anti-small cell lung cancer agents
Lung carcinoma (LC) is responsible for almost one-third of all cancer fatalities worldwide.
Tetrahydroquinoline is an organic molecule that is the semi-hydrogenated derivative of …
Tetrahydroquinoline is an organic molecule that is the semi-hydrogenated derivative of …
Structure-based design of potential anti-schistosomiasis agent targeting SmHDAC8: an in silico approach utilizing QSAR, MD simulation and ADMET prediction
SC Ja'afaru, A Uzairu, MS Sallau, GI Ndukwe… - Chemistry Africa, 2024 - Springer
Due to the increasing emergences of drug resistance, there is a need to discover new drugs
that can target Schistosoma mansoni histone deacetylase 8 (SmHDAC8) and effectively …
that can target Schistosoma mansoni histone deacetylase 8 (SmHDAC8) and effectively …
[HTML][HTML] Design of novel BRC1A target inhibitors: Docking simulation, QSAR modeling, MD simulation and Pharmacokinetics profiling.
SH Abdullahi, N Goyal, A Chandra, ZY Ibrahim… - Scientific African, 2024 - Elsevier
Breast cancer is the leading recurrent cancer in female, second in mortality, with 1.3 million
annual cases, demanding effective interventions. In this study, novel benzoylhydrazone …
annual cases, demanding effective interventions. In this study, novel benzoylhydrazone …
[HTML][HTML] In silico analysis of noscapine compounds as anti-tumor agents targeting the tubulin receptor
B Nulamuga, A Uzairu, IT Babalola, MT Ibrahim… - Journal of Taibah …, 2023 - Elsevier
Cancer has been become the most common cause of death globally. Pancreatic cancer has
received significant attention from many medicinal chemists and pharmaceutical companies …
received significant attention from many medicinal chemists and pharmaceutical companies …
Development of QSARs for cysteine-containing di-and tripeptides with antioxidant activity: influence of the cysteine position
LA Garro, MF Andrada, EG Vega-Hissi… - Journal of Computer …, 2024 - Springer
Antioxidants agents play an essential role in the food industry for improving the oxidative
stability of food products. In the last years, the search for new natural antioxidants has …
stability of food products. In the last years, the search for new natural antioxidants has …
[HTML][HTML] In silico screening, pharmacokinetic, DFT, and dynamics simulation study of ant-hepatitis C virus compounds as potential NS5B Polymerase inhibitors
Cirrhosis, hepatocellular carcinoma, and other serious liver diseases are caused by the
hepatitis C virus (HCV) infection. An oral NS5B inhibitor for the therapy of HCV called …
hepatitis C virus (HCV) infection. An oral NS5B inhibitor for the therapy of HCV called …