Search Results - "Olotu, Fisayo A"
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Dynamic perspectives into the mechanisms of mutation‐induced p53‐DNA binding loss and inactivation using active perturbation theory: Structural and molecular insights toward the design of potent reactivators in cancer therapy
Published in Journal of cellular biochemistry (01-01-2019)“…The DNA‐binding ability of p53 represents the crux of its tumor suppressive activities, which involves transcriptional activation of target genes responsible…”
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Identification of highly potent and selective Cdc25 protein phosphatases inhibitors from miniaturization click-chemistry-based combinatorial libraries
Published in European journal of medicinal chemistry (01-12-2019)“…Cell division cycle 25 (Cdc25) protein phosphatases play key roles in the transition between the cell cycle phases and their association with various cancers…”
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Probing the Highly Disparate Dual Inhibitory Mechanisms of Novel Quinazoline Derivatives against Mycobacterium tuberculosis Protein Kinases A and B
Published in Molecules (Basel, Switzerland) (16-09-2020)“…( ) serine/threonine (Ser/Thr) Protein kinases A (PknA) and B (PknB) have been identified as highly attractive targets for overcoming drug resistant…”
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Immunoinformatics prediction of potential B-cell and T-cell epitopes as effective vaccine candidates for eliciting immunogenic responses against Epstein-Barr virus
Published in Biomedical Journal (01-06-2021)“…The ongoing search for viable treatment options to curtail Epstein Barr Virus (EBV) pathogenicity has necessitated a paradigmatic shift towards the design of…”
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Integrative immunoinformatics paradigm for predicting potential B-cell and T-cell epitopes as viable candidates for subunit vaccine design against COVID-19 virulence
Published in Biomedical Journal (01-08-2021)“…BACKGROUNDThe increase in global mortality rates from SARS-COV2 (COVID-19) infection has been alarming thereby necessitating the continual search for viable…”
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Tweaking α -Galactoceramides: Probing the Dynamical Mechanisms of Improved Recognition for Invariant Natural Killer T-cell Receptor in Cancer Immunotherapeutics
Published in Current pharmaceutical biotechnology (2020)“…The last few decades have witnessed groundbreaking research geared towards immune surveillance mechanisms and have yielded significant improvements in the…”
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Covalent Inhibition in Drug Discovery: Filling the Void in Literature
Published in Current topics in medicinal chemistry (01-01-2018)“…The serendipitous discovery of covalent inhibitors and their characteristic potency of inducing irreversible and complete inhibition in therapeutic targets…”
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In Silico Repurposing of J147 for Neonatal Encephalopathy Treatment: Exploring Molecular Mechanisms of Mutant Mitochondrial ATP Synthase
Published in Current pharmaceutical biotechnology (2020)“…Neonatal Encephalopathy (NE) is a mitochondrial ATP synthase (mATPase) disease, which results in the death of infants. The case presented here is reportedly…”
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Leaving no stone unturned: Allosteric targeting of SARS-CoV-2 spike protein at putative druggable sites disrupts human angiotensin-converting enzyme interactions at the receptor binding domain
Published in Informatics in medicine unlocked (2020)“…The systematic entry of SARS-CoV-2 into host cells, as mediated by its Spike (S) protein, is highly essential for pathogenicity in humans. Hence, targeting the…”
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Turning to Computer-aided Drug Design in the Treatment of Diffuse Large B-cell Lymphoma: Has it been Helpful?
Published in Anti-cancer agents in medicinal chemistry (01-01-2019)“…Amidst the numerous effective therapeutic options available for the treatment of Diffuse Large B-cell Lymphoma (DLBCL), about 30-40% of patients treated with…”
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Exploring the Role of Asp1116 in Selective Drug Targeting of CREBcAMP- Responsive Element-binding Protein Implicated in Prostate Cancer
Published in Combinatorial chemistry & high throughput screening (2020)“…The selective targeting of CREB-cAMP-responsive element-binding protein (CBP) has recently evolved as a vital therapeutic approach for curtailing its aberrant…”
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Does Size Really Matter? Probing the Efficacy of Structural Reduction in the Optimization of Bioderived Compounds – A Computational “Proof-of-Concept”
Published in Computational and structural biotechnology journal (01-01-2018)“…Over the years, numerous synthetic approaches have been utilized in drug design to improve the pharmacological properties of naturally derived compounds and…”
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Alcohol Metabolic Inefficiency: Structural Characterization of Polymorphism-Induced ALDH2 Dysfunctionality and Allosteric Site Identification for Design of Potential Wildtype Reactivators
Published in The Protein Journal (01-06-2018)“…Liver mitochondrial aldehyde dehydrogenase 2 (ALDH2) enzyme is responsible for the rapid conversion of acetaldehyde to acetic acid. ALDH2 (E487K) polymorphism…”
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Piece of the puzzle: Remdesivir disassembles the multimeric SARS-CoV-2 RNA-dependent RNA polymerase complex
Published in Cell biochemistry and biophysics (01-06-2021)Get full text
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Druggability and drug-likeness concepts in drug design: are biomodelling and predictive tools having their say?
Published in Journal of molecular modeling (08-05-2020)“…The drug discovery process typically involves target identification and design of suitable drug molecules against these targets. Despite decades of…”
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From mutational inactivation to aberrant gain‐of‐function: Unraveling the structural basis of mutant p53 oncogenic transition
Published in Journal of cellular biochemistry (01-03-2018)“…Various evidence has revealed that mutations in p53 exert activities that go beyond simply inactivation of wildtype functions but rather elicits downstream…”
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Probing Gallate-Mediated Selectivity and High-Affinity Binding of Epigallocatechin Gallate: a Way-Forward in the Design of Selective Inhibitors for Anti-apoptotic Bcl-2 Proteins
Published in Applied biochemistry and biotechnology (01-03-2019)“…Selective inhibition is a key focus in the design of chemotherapeutic compounds that can abrogate the oncogenic activities of anti-apoptotic Bcl-2 proteins…”
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Solving the riddle: Unraveling the mechanisms of blocking the binding of leukotoxin by therapeutic antagonists in periodontal diseases
Published in Journal of cellular biochemistry (01-11-2018)“…Aggregatibacter actinomycetemcomitans is a Gram‐negative bacteria that has gained wide recognition for its causative role in the development of various immune…”
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Across the blood-brain barrier: Neurotherapeutic screening and characterization of naringenin as a novel CRMP-2 inhibitor in the treatment of Alzheimer's disease using bioinformatics and computational tools
Published in Computers in biology and medicine (01-07-2018)“…The discovery and developmental processes of CNS drugs have been limited by the inability of potential drug molecules to pass through the blood-brain barrier…”
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Deciphering the molecular mechanisms of selective non-covalency demonstrated differentially by 9-Allylnaphtho[1,8-ef]isoindole-7,8,10(9H)-trione (C11) against fibroblast growth factor receptors 1-4
Published in Journal of biomolecular structure & dynamics (13-04-2023)“…The specific inhibition of aberrant Fibroblast Growth Factor Receptors (FGFRs) has been identified as a feasible strategy to therapeutically ameliorate their…”
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