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NIYI ADELAKUN
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Year
Molecular docking analysis of phyto-constituents from Cannabis sativa with pfDHFR
TI David, NS Adelakun, OI Omotuyi, DS Metibemu, OE Ekun, OK Inyang, ...
Bioinformation 14 (9), 574, 2018
472018
Aframomum melegueta secondary metabolites exhibit polypharmacology against SARS‐CoV‐2 drug targets: in vitro validation of furin inhibition
IO Omotuyi, O Nash, BO Ajiboye, VO Olumekun, BE Oyinloye, ...
Phytotherapy Research 35 (2), 908-919, 2021
392021
Flavones scaffold of Chromolaena odorata as a potential xanthine oxidase inhibitor: Induced Fit Docking and ADME studies
B Kikiowo, AJ Ogunleye, OK Inyang, NS Adelakun, OI Omotuyi, ...
BioImpacts: BI 10 (4), 227, 2020
262020
Molecular docking and 3D qsar studies of C000000956 as a potent inhibitor of bace-1
OA Joseph, K Babatomiwa, A Niyi, O Olaposi, I Olumide
Drug research 69 (08), 451-457, 2019
192019
Chromolaena odorata flavonoids attenuate experimental nephropathy: Involvement of pro-inflammatory genes downregulation
OI Omotuyi, O Nash, OA Enejoh, EI Oribamise, NS Adelakun
Toxicology Reports 7, 1421-1427, 2020
162020
Discovery of new promising USP14 inhibitors: computational evaluation of the thumb-palm pocket
N Adelakun, I Obaseki, A Adeniyi, O Fapohunda, E Obaseki, O Omotuyi
Journal of Biomolecular Structure and Dynamics 40 (7), 3060-3070, 2022
142022
Polypharmacology of some medicinal plant metabolites against SARS-CoV-2 and host targets: Molecular dynamics evaluation of NSP9 RNA binding protein
S Bandyopadhyay, OA Abiodun, BC Ogboo, AT Kola-Mustapha, EI Attah, ...
Journal of Biomolecular Structure and Dynamics 40 (22), 11467-11483, 2022
122022
Induced fit docking and automated QSAR studies reveal the ER-α inhibitory activity of cannabis sativa in breast cancer
B Kikiowo, AJ Ogunleye, O Iwaloye, TT Ijatuyi, NS Adelakun, WO Alashe
Recent Patents on Anti-Cancer Drug Discovery 16 (2), 273-284, 2021
122021
Virtual screening and pharmacokinetic studies of potential MAO-B inhibitors from traditional Chinese medicine
B Kikiowo, JA Ogunleye, DS Metibemu, IO Omotuyi, NS Adelakun
Journal of Biological Engineering Research and Review 7 (1), 08-15, 2020
122020
Darunavir disrupts critical nodes in metastable 2019-nCoV-RBD/ACE-2 complex
OI Omotuyi, O Nash, BO Ajiboye, DS Metibemu, BE Oyinloye, ...
Preprints, 2020
102020
T‐705‐modified ssRNA in complex with Lassa virus nucleoprotein exhibits nucleotide splaying and increased water influx into the RNA‐binding pocket
OI Omotuyi, O Nash, D Safronetz, AA Ojo, TH Ogunwa, NS Adelakun
Chemical Biology & Drug Design 93 (4), 544-555, 2019
92019
Agemone mexicana flavanones; apposite inverse agonists of the β2-adrenergic receptor in asthma treatment
GO Eniafe, DS Metibemu, OI Omotuyi, AJ Ogunleye, OK Inyang, ...
Bioinformation 14 (2), 60, 2018
92018
Automated QSAR and docking study of phyto-ligands of chromolaena odorata as inhibitor of bacteria beta-lactamase enzyme
TI David, DC Okonkwo, NS Adelakun, OI Omotuyi
Journal of Biological Engineering Research and Review 6 (2), 32-42, 2019
32019
Identification of Gly/NMDA receptor Antagonist from Chromolaena odorata’s Derived compounds using Induced Fit Docking and ADME study
TI David, OI Omotuyi, OD Agboola, DC Okonkwo, NS Adelakun
J. Biol. Eng. Res. Rev 6, 19-26, 2019
32019
Identification of Gly/NMDAR Antagonist from Chromolaena odorata’s Derived Phytoconstituents using Induced Fit Docking Approach
TI David, OI Omotuyi, OD Agboola, DC Okonkwo, NS Adelakun
bioRxiv, 610006, 2019
12019
Analyzing protein posttranslational modifications using enzyme-catalyzed expressed protein ligation
N Adelakun, J Parrish, N Chu
Methods in Enzymology 682, 319-350, 2023
2023
Phytoconstituents from Markhamia tomentosa bind to HPV oncoprotein with apoptogenic potential: a molecular modeling approach.
MB Ibrahim, AT Kola-Mustapha, NS Adelakun, NA Koorbanally
2021
Molecular binding signatures of Trigonella foenum-graecum compounds on cyclin-dependent kinase 4 for possible anti-cancer mechanism in breast cancer
OA Enejoh, H Rasheed-Jada, GO Eniafe, AJ Ogunleye, EI Oribamise, ...
GSC Biological and Pharmaceutical Sciences 11 (3), 041-021, 2020
2020
Takeda G-protein Receptor (TGR)-5 Evolves Classical Active-state Conformational Signatures in Complex with Chromolaena Odorata-derived Flavonoid-5, 7-dihydroxy-6-4 …
OI Olaposi, N Oyekanmi, MD Samuel, OA Enejoh, UO Victor, A Niyi
Current Chemical Biology 13 (3), 212-222, 2019
2019
Inhibition of Insulin Receptor Tyrosine Kinase by the Firmicutes Metabolome during Insulin Resistance
AAOIO Adewale J Ogunleye, Ojochenemi A Enejoh, Gabriel O Eniafe, Olumide K ...
Archives of Endocrinology and Diabetes Care 2 (1), 154 - 163, 2018
2018
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