Publications by authors named "Toheeb Balogun"

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Kaempferols from Echinacea purpurea demonstrate anti-cancer potential by targeting anexelekto in breast cancer therapy using chemoinformatics approach.
Saviour God'swealth Usin, Daniel Ogbonnaya Nwankwo, Anas Haruna Ruggah, Adebesin Ayomide Oluwadarasimi, Md Ahad Ali, Toheeb Adewale Balogun

Discov Oncol· October 2025

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Probing oxidation-controlled proton transfer at the graphene oxide-water interface with deep neural network force fields.
Golam Azom, Toheeb O Balogun, Anne Milet, Rolf David, Revati Kumar

Chem Commun (Camb)· September 2025

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Design of small molecules for CDK-2 inhibition in colorectal cancer based on substructure search.
Uchechukwu C Ogbodo, Sofela Salimat, Damilola S Bodun, Toheeb A Balogun, Damilola A Omoboyowa

J Biomol Struct Dyn· February 2025

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Revealing the Water Structure at Neutral and Charged Graphene/Water Interfaces through Quantum Simulations of Sum Frequency Generation Spectra.
Richa Rashmi, Toheeb O Balogun, Golam Azom, Henry Agnew, Revati Kumar

ACS Nano· February 2025

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In-silico-based lead optimization of hit compounds targeting mitotic kinesin Eg5 for cancer management.
Damilola S Bodun, Damilola A Omoboyowa, Victor F Olofinlade, Adeyemi O Ayodeji, Andrea Mauri, Toheeb A Balogun

In Silico Pharmacol· January 2025

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Distinct pathways for evolution of enhanced receptor binding and cell entry in SARS-like bat coronaviruses.
Alexandra L Tse, Cory M Acreman, Inna Ricardo-Lax, Jacob Berrigan, Gorka Lasso, Toheeb Balogun

PLoS Pathog· November 2024

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Distinct pathway for evolution of enhanced receptor binding and cell entry in SARS-like bat coronaviruses.
Alexandra L Tse, Cory M Acreman, Inna Ricardo-Lax, Jacob Berrigan, Gorka Lasso, Toheeb Balogun

bioRxiv· July 2024

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Computational identification of potential acetylcholinesterase (AChE) and monoamine oxidase-B inhibitors from : a case study of Alzheimer's disease (AD).
Salimat O Sofela, Abdulwasiu Ibrahim, Uchechukwu C Ogbodo, Damilola S Bodun, Daniel O Nwankwo, Toheeb Balogun

In Silico Pharmacol· May 2024

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Identification of Phytochemicals with Inhibitory Potential Against Beta-lactamase Enzymes via Computer-aided Approach.
Goodness Chizorom Nwokebu, Abdurahman Babatunde Adesina, Clement Ndudi Isibor, Stephen Ayaosi Aigbepue, Chidinma Confidence Egbo, Toheeb Adewale Balogun

Bioorg Chem· April 2024

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Integrated computational approach identifies potential inhibitors of ASK1-(JNK/P38) interaction signaling: new insights into cancer therapeutics.
Uchechukwu C Ogbodo, Toheeb A Balogun, Victor Omoboyede

J Biomol Struct Dyn· January 2024

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Integrating biocomputational techniques for Breast cancer drug discovery via the HER-2, BCRA, VEGF and ER protein targets.
Tope T Odunitan, Oluwatosin A Saibu, Boluwatife T Apanisile, Damilola A Omoboyowa, Toheeb A Balogun

Comput Biol Med· January 2024

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study revealed the inhibitory activity of selected phytomolecules of against VacA implicated in gastric ulcer.
Halimat Atanda, Toheeb Adewale Balogun, Mohammed M Alshehri, Gustavo Olivos-Ramirez, Julissa Vilca-Quispe

J Biomol Struct Dyn· December 2023

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Computational evaluation of bioactive compounds from (mistletoe) as inhibitors of p63 for pancreatic cancer treatment.
Gbenga Dairo, Ayooluwa Ilesanmi, Toheeb Balogun, Matthew Ward, Mette Soendergaard

J Biomol Struct Dyn· December 2023

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Identification of bioactive compounds from L. (Lingonberry) as inhibitors for treating KRAS-associated cancer: a computational approach.
Ayooluwa Ilesanmi, Gbenga Dairo, Sofela Salimat, Damilola S Bodun, Bibiire Awoyale, Toheeb A Balogun

In Silico Pharmacol· October 2023

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Computational Evaluation of Azadirachta indica-Derived Bioactive Compounds as Potential Inhibitors of NLRP3 in the Treatment of Alzheimer's Disease.
Felix Oluwasegun Ishabiyi, James Okwudirichukwu Ogidi, Baliqis Adejoke Olukade, Chizoba Christabel Amorha, Lina Y El-Sharkawy, Toheeb Adewale Balogun

J Alzheimers Dis· August 2023

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QSAR-based virtual screening of traditional Chinese medicine for the identification of mitotic kinesin Eg5 inhibitors.
Damilola S Bodun, Damilola A Omoboyowa, Olaposi I Omotuyi, Ezekiel A Olugbogi, Toheeb A Balogun

Comput Biol Chem· June 2023

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Discovery of potential HER2 inhibitors from for the treatment of HER2-Positive breast cancer: an integrated computational approach.
Toheeb Adewale Balogun, Muhammad Nasir Iqbal, Oluwatosin Abideen Saibu, Michael Olawale Akintubosun, Olubodun Michael Lateef

J Biomol Struct Dyn· December 2022

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Discovery of putative inhibitors against main drivers of SARS-CoV-2 infection: Insight from quantum mechanical evaluation and molecular modeling.
Toheeb A Balogun, Onyeka S Chukwudozie, Uchechukwu C Ogbodo, Idris O Junaid, Olugbodi A Sunday

Front Chem· October 2022

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Checkpoints and immunity in cancers: Role of GNG12.
Abdullahi Alausa, Ugwu Chukwuebuka Victor, Olumide Samuel Fadahunsi, Nurudeen Owolabi, Adeolu Adeniji, Toheeb Adewale Balogun

Pharmacol Res· June 2022

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Structure-based discovery of selective CYPA inhibitors for Castration-resistant prostate cancer treatment.
Damilola A Omoboyowa, Toheeb A Balogun, Oluwatosin A Saibu, Onyeka S Chukwudozie, Abdullahi Alausa

Biol Methods Protoc· December 2021

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Computational Evaluation of Bioactive Compounds from Schott as a Novel EGFR Inhibitor for Cancer Treatment.
Toheeb A Balogun, Nureni Ipinloju, Olayemi T Abdullateef, Segun I Moses, Damilola A Omoboyowa

Cancer Inform· October 2021

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Identification of Terpenoids From Against Parkinson's Disease Proteins Using Approach.
Damilola Alex Omoboyowa, Toheeb Adewale Balogun, Oluwaseun Motunrayo Omomule, Oluwatosin A Saibu

Bioinform Biol Insights· October 2021

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Computational prediction of nimbanal as potential antagonist of respiratory syndrome coronavirus.
Aanuoluwa Eunice Adegbola, Olumide Samuel Fadahunsi, Abdulahi Alausa, Ayodeji Zabdiel Abijo, Toheeb Adewale Balogun

Inform Med Unlocked· May 2021

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Anticancer Potential of on BRCA-1 Gene: Systems Biology.
Toheeb A Balogun, Kaosarat D Buliaminu, Onyeka S Chukwudozie, Zainab A Tiamiyu, Taiwo J Idowu

Bioinform Biol Insights· April 2021

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