Temidayo Olamide Adigun
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View article: Discovery of Eriodictyol as Putative Exportin-1 Inhibitor for Non-small Cell Lung Cancer Therapy
Discovery of Eriodictyol as Putative Exportin-1 Inhibitor for Non-small Cell Lung Cancer Therapy Open
Exportin-1, the ubiquitous nuclear protein transporter, is widely confirmed as an active chemotherapeutic target in non-small cell lung cancer conditions, while Juglans mandshurica is a well-studied anticancer plant in some lung cancer cel…
View article: Antimicrobial Evaluation of<i>Salvadora persica</i>Methanolic Stem Extract and<i>In vivo</i>Modelling of its Identified Constituting Compounds Revealed Antibacterial Effect of 2-[(5-Iodosalicylidene)hydrazino]-4-morpholino-6-(1-pyrrolidinyl)-1,3,5-triazine in the Treatment of Dental Plague
Antimicrobial Evaluation of<i>Salvadora persica</i>Methanolic Stem Extract and<i>In vivo</i>Modelling of its Identified Constituting Compounds Revealed Antibacterial Effect of 2-[(5-Iodosalicylidene)hydrazino]-4-morpholino-6-(1-pyrrolidinyl)-1,3,5-triazine in the Treatment of Dental Plague Open
Challenges of resistance to synthetic antimicrobials have opened new vistas in the search for natural products. This research rigorously reviews plant used in oral health. The antimicrobial activities of Salvadora persica commonly used as …
View article: In silico molecular modeling and simulations of black tea theaflavins revealed theaflavin-3’-gallate as putative liver X receptor-beta agonist
In silico molecular modeling and simulations of black tea theaflavins revealed theaflavin-3’-gallate as putative liver X receptor-beta agonist Open
The low constitutive activation of Liver X receptor, an endogenous nuclear receptor with two subtypes (α and β), is a condition lying at the crossroad of cancer and cardiovascular disease. Both natural and synthetic Liver X receptor agonis…
View article: Deranged hembiosynthetic pathway in gasoline dispensers in Nigeria: Implications for risk of myeloproliferative disorders and chemoprevention
Deranged hembiosynthetic pathway in gasoline dispensers in Nigeria: Implications for risk of myeloproliferative disorders and chemoprevention Open
Objectives: There is increasing exposure to petrochemicals, including benzene, particularly in the low and medium-income countries. Benzene is a component of many petrochemicals and a ubiquitous environmental pollutant. Phenol is one of it…
View article: 7 Mechanistic insight into the interactions between thiazolidinedione derivatives and PTP-1B combining 3D QSAR andmolecular docking in the treatment of type 2 diabetes
7 Mechanistic insight into the interactions between thiazolidinedione derivatives and PTP-1B combining 3D QSAR andmolecular docking in the treatment of type 2 diabetes Open
Protein tyrosine phosphatases (PTP) regulate various cellular processes and represent important targets for therapeutic intervention in various diseases. Studies have shown that partial or total cessation of the PTP-1B gene in normal and d…
View article: Descriptor-Free QSAR: Effectiveness and Screening for Putative Inhibitors of FGFR1
Descriptor-Free QSAR: Effectiveness and Screening for Putative Inhibitors of FGFR1 Open
The effectiveness of descriptors-utilizing quantitative structure-activity relationship models in drug design remains limited by the quality of descriptors used in training, this then raises the question: can QSAR models be directly traine…
View article: Tackling the Moving Mutant Target: Taxifolin Derivatives as Novel Putative E571K Exportin-1 Inhibitors for KRAS-mutant Lung Adenocarcinoma Therapy
Tackling the Moving Mutant Target: Taxifolin Derivatives as Novel Putative E571K Exportin-1 Inhibitors for KRAS-mutant Lung Adenocarcinoma Therapy Open
Aim: To establish, through molecular modelling, safe and clinically acceptable putative antagonists of E571K-mutated exportin-1 among the bioactive compounds in various parts of Juglans mandshurica. Methods: The bioactive compounds were su…
View article: Discovery of Eriodictyol as Putative Exportin-1 Inhibitor for Non-small Cell Lung Cancer Therapy
Discovery of Eriodictyol as Putative Exportin-1 Inhibitor for Non-small Cell Lung Cancer Therapy Open
Exportin-1, the ubiquitous nuclear protein transporter, is widely confirmed as an active chemotherapeutic target in non-small cell lung cancer condition while Juglans mandshurica is a well-studied anticancer plant in some lung cancer cell …
View article: Development of Putative Isospecific Inhibitors for HDAC6 using Random Forest, QM-Polarized docking, Induced-fit docking, and Quantum mechanics
Development of Putative Isospecific Inhibitors for HDAC6 using Random Forest, QM-Polarized docking, Induced-fit docking, and Quantum mechanics Open
Histone deacetylases have been recognized as a potential target for epigenetic aberrance reversal in the various strategies for cancer therapy, with HDAC6 implicated in various forms of tumor growth and cancers. Diverse inhibitors of HDAC6…
View article: Virtual Screening and Elucidation of Putative Binding Mode for Small Molecule Antagonist of BCL2 BH4 Domain
Virtual Screening and Elucidation of Putative Binding Mode for Small Molecule Antagonist of BCL2 BH4 Domain Open
Evading apoptosis is a hallmark of cancer cells, therefore therapeutic strategies have been developed to induce cell death. BCL2 family protein governs the intrinsic pathway of cell death. Targeting the BH4 domain to modulate the anti-apop…
View article: Insights into features and lead optimization of novel type 1½ inhibitors of p38α mitogen-activated protein kinase using QSAR, quantum mechanics, bioisostere replacement and ADMET studies
Insights into features and lead optimization of novel type 1½ inhibitors of p38α mitogen-activated protein kinase using QSAR, quantum mechanics, bioisostere replacement and ADMET studies Open
p38α mitogen-activated protein kinase (p38αMAPK) has been implicated in many diseases yet no inhibitor has been approved for therapeutic use. Various inhibitors have been developed with different binding modes, but none has been approved f…