List of works - Adebayo A. Adeniyi

An insight into the anticancer activities of Ru(II)-based metallocompounds using docking methods

scientific article published on 04 September 2013

Comparing the suitability of autodock, gold and glide for the docking and predicting the possible targets of Ru(II)-based complexes as anticancer agents

scientific article published on 25 March 2013

Computational insight into the anticholinesterase activities and electronic properties of physostigmine analogs

scientific article published on 01 August 2019

Computational insight into the contribution of para-substituents on the reduction potential, proton affinity, and electronic properties of nitrobenzene compounds

scientific article published on 26 February 2019

Computational properties of η6-toluene and η6-trifluorotoluene half-sandwich Ru(II) anticancer complexes.

scientific article published in August 2013

Computational studies of the electronic, conductivities, and spectroscopic properties of hydrolysed Ru(II) anticancer complexes

scientific article published on 26 June 2013

Design, synthesis, heme binding and density functional theory studies of isoindoline-dione-4-aminoquinolines as potential antiplasmodials

scientific article published on 05 December 2019

Diabetes mellitus caused by mutations in human insulin: analysis of impaired receptor binding of insulins Wakayama, Los Angeles and Chicago using pharmacoinformatics.

scientific article published on 7 March 2016

Experimental and theoretical investigation of the spectroscopic and electronic properties of pyrazolyl ligands.

scientific article

Exploring the Ruthenium-Ligands Bond and Their Relative Properties at Different Computational Methods

scholarly article in Journal of Chemistry, 2016

Functionalized Naphthalimide-4-aminoquinoline Conjugates as Promising Antiplasmodials, with Mechanistic Insights

scientific article published on 08 January 2020

Implementing QM in docking calculations: is it a waste of computational time?

scientific article published on 5 July 2017

Inhibitory activities and possible anticancer targets of Ru(II)-based complexes using computational docking method

scientific article published on 14 August 2012

Insights into the Intramolecular Properties ofη6-Arene-Ru-Based Anticancer Complexes Using Quantum Calculations

scholarly article in Journal of Chemistry, 2013

Intra-molecular electron communication, spectroscopic and conformational stability of the newly developed urethane modified polyetheramide coatings: Computational methods

scientific article published on 20 September 2017

New drug design with covalent modifiers.

scientific article

One and Multiple Bonds Interatomic Spin-Spin Coupling inη6-Cymene Ru(II) of 3,5-Dimethyl-, 3,5-Dicarboxylic-, and 5-Phenyl-pyrazole Derivatives

Pharmacophore-Based 3D-QSAR Analysis of Thienyl Chalcones as a New Class of Human MAO-B Inhibitors: Investigation of Combined Quantum Chemical and Molecular Dynamics Approach.

scientific article published on 13 January 2017

The Anticancer Activities of Some Nitrogen Donor Ligands Containing bis-Pyrazole, Bipyridine, and Phenanthroline Moiety Using Docking Methods.

scientific article

The Spectroscopic and Conductive Properties of Ru(II) Complexes with Potential Anticancer Properties

The conformational change of Plukenetia conophora oil derivatives and their acidic resistance, intra-fragment interactions, stability in different solvent media

scientific article published on 22 October 2020

The spectroscopic and electronic properties of dimethylpyrazole and its derivatives using the experimental and computational methods

article

The spectroscopic and the QTAIM properties of pyridine and phenanthroline derivatives using experimental and computational methods

scientific article published on 13 March 2014

The stability, kinetics and inter-fragment electron communication of the tautomers of twelve selected β-diketone molecules: A computational study

scientific article published on 30 June 2018

Unravelling the drugability of MSI2 RNA recognition motif (RRM) protein and the prediction of their effective antileukemia inhibitors from traditional herb concoctions

scientific article published on 02 November 2020

[2+2] Cycloadditions of Sorbyl Tosylate with Imines/1-Azadienes: A One-Pot Domino Approach for α -Alkylidene-β -lactams and Their Computational Studies and Antimicrobial Evaluation

List of works by Adebayo A. Adeniyi

An insight into the anticancer activities of Ru(II)-based metallocompounds using docking methods

Comparing the suitability of autodock, gold and glide for the docking and predicting the possible targets of Ru(II)-based complexes as anticancer agents

Computational insight into the anticholinesterase activities and electronic properties of physostigmine analogs

Computational insight into the contribution of para-substituents on the reduction potential, proton affinity, and electronic properties of nitrobenzene compounds

Computational properties of η6-toluene and η6-trifluorotoluene half-sandwich Ru(II) anticancer complexes.

Computational studies of the electronic, conductivities, and spectroscopic properties of hydrolysed Ru(II) anticancer complexes

Design, synthesis, heme binding and density functional theory studies of isoindoline-dione-4-aminoquinolines as potential antiplasmodials

Diabetes mellitus caused by mutations in human insulin: analysis of impaired receptor binding of insulins Wakayama, Los Angeles and Chicago using pharmacoinformatics.

Experimental and theoretical investigation of the spectroscopic and electronic properties of pyrazolyl ligands.

Exploring the Ruthenium-Ligands Bond and Their Relative Properties at Different Computational Methods

Functionalized Naphthalimide-4-aminoquinoline Conjugates as Promising Antiplasmodials, with Mechanistic Insights

Implementing QM in docking calculations: is it a waste of computational time?

Inhibitory activities and possible anticancer targets of Ru(II)-based complexes using computational docking method

Insights into the Intramolecular Properties ofη6-Arene-Ru-Based Anticancer Complexes Using Quantum Calculations

Intra-molecular electron communication, spectroscopic and conformational stability of the newly developed urethane modified polyetheramide coatings: Computational methods

New drug design with covalent modifiers.

One and Multiple Bonds Interatomic Spin-Spin Coupling inη6-Cymene Ru(II) of 3,5-Dimethyl-, 3,5-Dicarboxylic-, and 5-Phenyl-pyrazole Derivatives

Pharmacophore-Based 3D-QSAR Analysis of Thienyl Chalcones as a New Class of Human MAO-B Inhibitors: Investigation of Combined Quantum Chemical and Molecular Dynamics Approach.

The Anticancer Activities of Some Nitrogen Donor Ligands Containing bis-Pyrazole, Bipyridine, and Phenanthroline Moiety Using Docking Methods.

The Spectroscopic and Conductive Properties of Ru(II) Complexes with Potential Anticancer Properties

The conformational change of Plukenetia conophora oil derivatives and their acidic resistance, intra-fragment interactions, stability in different solvent media

The spectroscopic and electronic properties of dimethylpyrazole and its derivatives using the experimental and computational methods

The spectroscopic and the QTAIM properties of pyridine and phenanthroline derivatives using experimental and computational methods

The stability, kinetics and inter-fragment electron communication of the tautomers of twelve selected β-diketone molecules: A computational study

Unravelling the drugability of MSI2 RNA recognition motif (RRM) protein and the prediction of their effective antileukemia inhibitors from traditional herb concoctions

[2+2] Cycloadditions of Sorbyl Tosylate with Imines/1-Azadienes: A One-Pot Domino Approach for α -Alkylidene-β -lactams and Their Computational Studies and Antimicrobial Evaluation