Investigation of the MDM2-binding potential of de novo designed peptides using enhanced sampling simulations

OA Durojaye, AA Yekeen, MO Idris, NO Okoro… - International Journal of …, 2024 - Elsevier
The tumor suppressor p53 plays a crucial role in cellular responses to various stresses,
regulating key processes such as apoptosis, senescence, and DNA repair. Dysfunctional …

MasitinibL shows promise as a drug-like analog of masitinib that elicits comparable SARS-Cov-2 3CLpro inhibition with low kinase preference

OA Durojaye, NO Okoro, AS Odiba, BC Nwanguma - Scientific reports, 2023 - nature.com
SARS-CoV-2 infection has led to several million deaths worldwide and ravaged the
economies of many countries. Hence, develo** therapeutics against SARS-CoV-2 …

Quercetin and taxifolin inhibits TMPRSS2 activity and its interaction with EGFR in paclitaxel‐resistant breast cancer cells: An in silico and in vitro study

DB Kundrapu, AK Chaitanya, K Manaswi… - Chemical Biology & …, 2024 - Wiley Online Library
Abstract Transmembrane protease/serine (TMPRSS2), a type II transmembrane serine
protease, plays a crucial role in different stages of cancer. Recent studies have reported that …

Structural, functional, molecular docking analysis of a hypothetical protein from Talaromyces marneffei and its molecular dynamic simulation: an in-silico approach

MMR Munna, MA Islam, SS Shanta… - Journal of Biomolecular …, 2024 - Taylor & Francis
Telaromyces marneffei (formerly Penicillium marneffei) is an endemic pathogenic fungus in
Southern China and Southeast Asia. It can cause disease in patients with travel-related …

A computational analysis reveals eight novel high-risk single nucleotide variants of human tumor suppressor LHPP gene

T Feroz, MK Islam - Egyptian Journal of Medical Human Genetics, 2023 - Springer
Background LHPP is a tumor suppressor protein associated with various malignancies like
liver, oral, pharyngeal, bladder, cervical, and gastric cancers through controlling various …

Csc01 shows promise as a potential inhibitor of the oncogenic G13D mutant of KRAS: an in silico approach

OA Durojaye, U Ejaz, HO Uzoeto, AA Fadahunsi… - Amino Acids, 2023 - Springer
About 30% of malignant tumors include KRAS mutations, which are frequently required for
the development and maintenance of malignancies. KRAS is now a top-priority cancer target …

[HTML][HTML] p70S6K as a Potential Anti-COVID-19 Target: Insights from Wet Bench and In Silico Studies

S Shechter, RK Pal, F Trovato, O Rozen, MJ Gage… - Cells, 2024 - mdpi.com
The onset of SARS-CoV-2 infection in 2019 sparked a global COVID-19 pandemic. This
infection is marked by a significant rise in both viral and host kinase activity. Our primary …

Delineation of the CENP-LN sub-complex dissociation mechanism upon multisite phosphorylation during mitosis

OA Durojaye - Journal of Biomolecular Structure and Dynamics, 2024 - Taylor & Francis
Phosphorylation is the most prevalent form of regulation in cells, organizing virtually all
cellular functions, including survival, motility, differentiation, proliferation, and metabolism …

Targeting refractory diffuse large B cell lymphoma by CAR-WEE1 T-cells: In vitro evaluation

HM Ahmed, SS Moselhy, MI Mohamad, AF Soliman… - Annals of …, 2025 - Springer
Abstract Refractory Diffuse Large B-cell Lymphoma (DLBCL) presents a major therapeutic
challenge due to its resistance to standard treatments. Engineered T-cells, especially …

Kinases: Have We Truly Explored It All??

S Shechter - 2024 - search.proquest.com
Kinases serve as regulatory signaling proteins and are crucial for various biological and
cellular functions, including cell growth, division, metabolism, signaling, and response to …