G. Shallangwa

发表

Ligand-based drug design, molecular docking and pharmacokinetic studies of some series of 1,4 - dihydropyridines derivatives as human intestinal maltase-glucoamylase inhibitor.

A. Uzairu, S. Abechi, A. Umar, 2022, Chemical Data Collections.

Computational modelling studies of some 1,3-thiazine derivatives as anti-influenza inhibitors targeting H1N1 neuraminidase via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions

A. Uzairu, P. Mamza, M. T. Ibrahim, 2022, Beni-Suef University Journal of Basic and Applied Sciences.

Computational modeling, ligand-based drug design, drug-likeness and ADMET properties studies of series of chromen-2-ones analogues as anti-cancer agents

A. Uzairu, S. Uba, A. Umar, 2022, Bulletin of the National Research Centre.

Computational techniques in designing a series of 1,3,4-trisubstituted pyrazoles as unique hepatitis C virus entry inhibitors

Adamu Uzairu, Stephen Eyije Abechi, Stephen Ejeh, 2021 .

In silico modelling of quantitative structure–activity relationship of multi-target anticancer compounds on k-562 cell line

David Ebuka Arthur, Adamu Uzairu, Paul Mamza, 2018, Network Modeling Analysis in Health Informatics and Bioinformatics.

MOLECULAR DOCKING INVESTIGATION AND PHARMACOKINETIC PROPERTIES PREDICTION OF SOME ANILINOPYRIMIDINES ANALOGUES AS EGFR T790M TYROSINE KINASE INHIBITORS

A. Uzairu, S. Uba, M. T. Ibrahim, 2021, Egyptian Journal of Basic and Applied Sciences.

QSAR, simulation techniques, and ADMET/pharmacokinetics assessment of a set of compounds that target MAO-B as anti-Alzheimer agent

A. Uzairu, S. Abechi, A. Ajala, 2023, Future Journal of Pharmaceutical Sciences.

Binding profile of protein–ligand inhibitor complex and structure based design of new potent compounds via computer-aided virtual screening

S. Adeniji, G. Shallangwa, 2021, Journal of clinical tuberculosis and other mycobacterial diseases.

Theoretical Investigation of the Cooperation of Iminoguanidine with the Enzymes-Binding Domain of Covid-19 and Bacterial Lysozyme Inhibitors and their Pharmacokinetic Properties

E. Edache, A. Uzairu, P. Mamza, 2022, Journal of the Mexican Chemical Society.

Theoretical modeling and design of some pyrazolopyrimidine derivatives as Wolbachia inhibitors, targeting lymphatic filariasis and onchocerciasis

A. Uzairu, F. A. Ugbe, I. Abdulkadir, 2022, In Silico Pharmacology.

Theoretical modeling and design of some pyrazolopyrimidine derivatives as Wolbachia inhibitors, targeting lymphatic filariasis and onchocerciasis

A. Uzairu, F. A. Ugbe, I. Abdulkadir, 2022, In Silico Pharmacology.

Virtual screening, molecular docking simulation and ADMET prediction of some selected natural products as potential inhibitors of NLRP3 inflammasomes as drug candidates for Alzheimer disease

A. Uzairu, S. Abechi, A. Ajala, 2023, Biocatalysis and Agricultural Biotechnology.

2D-QSAR, 3D-QSAR, molecular docking and ADMET prediction studies of some novel 2-((1H-indol-3-yl)thio)-N-phenyl-acetamide derivatives as anti-influenza A virus

A. Uzairu, P. Mamza, M. T. Ibrahim, 2022, Egyptian Journal of Basic and Applied Sciences.

In-silico modelling studies of 5-benzyl-4-thiazolinone derivatives as influenza neuraminidase inhibitors via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions

A. Uzairu, P. Mamza, M. T. Ibrahim, 2022, Heliyon.

Computational modelling of some phenolic diterpenoids compounds as anti-influenza A virus agents

A. Uzairu, P. Mamza, M. T. Ibrahim, 2022, Scientific African.

A combined 2-D and 3-D QSAR modeling, molecular docking study, design, and pharmacokinetic profiling of some arylimidamide-azole hybrids as superior L. donovani inhibitors

A. Uzairu, G. A. Shallangwa, F. A. Ugbe, 2022 .

Theoretical activity prediction, structure-based design, molecular docking and pharmacokinetic studies of some maleimides against Leishmania donovani for the treatment of leishmaniasis

A. Uzairu, G. A. Shallangwa, F. A. Ugbe, 2022, Bulletin of the National Research Centre.

In-silico activity prediction, structure-based drug design, molecular docking and pharmacokinetic studies of selected quinazoline derivatives for their antiproliferative activity against triple negative breast cancer (MDA-MB231) cell line

A. Uzairu, S. Uba, Sagiru Hamza Abdullahi, 2022, Bulletin of the National Research Centre.

Obstructing Salmonella typhi's virulence in eukaryotic cells through design of its SipB protein antagonists

A. Uzairu, S. Uba, J. P. Ameji, 2022, Journal of Taibah University Medical Sciences.

Quantitative structure–activity relationship modeling of hydroxylated polychlorinated biphenyls as constitutive androstane receptor agonists

A. Uzairu, S. Abechi, Lukman K Akinola, 2022, Structural Chemistry.

In silico prediction of nuclear receptor binding to polychlorinated dibenzofurans and its implication on endocrine disruption in humans and wildlife

A. Uzairu, S. Abechi, Lukman K Akinola, 2021, Current research in toxicology.

Design of potential anti-melanoma agents against SK-MEL-5 cell line using QSAR modeling and molecular docking methods

A. Uzairu, S. Uba, G. Shallangwa, 2020, SN Applied Sciences.

Structure-based optimization of tyrosine kinase inhibitors: a molecular docking study

David Ebuka Arthur, Adamu Uzairu, Paul Mamza, 2018, Network Modeling Analysis in Health Informatics and Bioinformatics.

Design, pharmacokinetic profiling, and assessment of kinetic and thermodynamic stability of novel anti-Salmonella typhi imidazole analogues

A. Uzairu, S. Uba, J. P. Ameji, 2023, Bulletin of the National Research Centre.

Virtual screening of novel pyridine derivatives as effective inhibitors of DNA gyrase (GyrA) of salmonella typhi

J. Philip, A. Uzairu, S. Uba, 2023, Current Chemistry Letters.

Molecular docking simulation, drug-likeness assessment, and pharmacokinetic study of some cephalosporin analogues against a penicillin-binding protein of Salmonella typhimurium

A. Uzairu, S. Uba, G. Shallangwa, 2023, The Journal of Antibiotics.

2D and 3D-QSAR Modeling of 1H‑Pyrazole Derivatives as EGFR Inhibitors: Molecular Docking, and Pharmacokinetic Profiling

A. Uzairu, S. Uba, Sagiru Hamza Abdullahi, 2023, Chemistry Africa.

Structure Based Design of Some Novel 3-Methylquinoxaline Derivatives Through Molecular Docking and Pharmacokinetics Studies as Novel VEGFR-2 Inhibitors

A. Uzairu, S. Uba, Sagiru Hamza Abdullahi, 2022, Chemistry Africa.

Pharmacokinetic profiling of quinazoline-4(3H)-one analogs as EGFR inhibitors: 3D-QSAR modeling, molecular docking studies and the design of therapeutic agents

A. Uzairu, S. Uba, Sagiru Hamza Abdullahi, 2023, Journal of Taibah University Medical Sciences.

QSAR, Molecular Docking, Dynamic Simulation and Kinetic Study of Monoamine Oxidase B Inhibitors as Anti-Alzheimer Agent

A. Uzairu, A. Ajala, G. Shallangwa, 2022, Chemistry Africa.

QSAR, homology modeling, and docking simulation on SARS-CoV-2 and pseudomonas aeruginosa inhibitors, ADMET, and molecular dynamic simulations to find a possible oral lead candidate

E. Edache, A. Uzairu, P. Mamza, 2022, Journal of Genetic Engineering and Biotechnology.

Homology modeling, docking, and ADMET studies of benzoheterocyclic 4-aminoquinolines analogs as inhibitors of Plasmodiumfalciparum

A. Uzairu, S. Abechi, Z. Ibrahim, 2023, Journal of Taibah University Medical Sciences.

In-silico approaches towards the profiling of some anti-dengue virus as potent inhibitors against dengue NS-5 receptor

Paul Mamza, Gideon Adamu Shallangwa, Samuel Ndaghiya Adawara, 2021 .

Development and Validation of Predictive Quantitative Structure–Activity Relationship Models for Estrogenic Activities of Hydroxylated Polychlorinated Biphenyls

A. Uzairu, S. Abechi, G. Shallangwa, 2023, Environmental toxicology and chemistry.

In-silico profiling, design, molecular docking computation, and drug kinetic model evaluation of novel curcumin derivatives as potential anticancer agents

A. Uzairu, S. Abechi, G. Shallangwa, 2023, Journal of the Indian Chemical Society.

Virtual screening, pharmacokinetics, and molecular dynamics simulations studies to identify potent approved drugs for Chlamydia trachomatis treatment

E. Edache, A. Uzairu, P. Mamza, 2021, Future Journal of Pharmaceutical Sciences.

Development of binary classification models for grouping hydroxylated polychlorinated biphenyls into active and inactive thyroid hormone receptor agonists

A. Uzairu, S. Abechi, G. Shallangwa, 2023, SAR and QSAR in environmental research.

Natural product inhibitors as potential drug candidates against Alzheimer's disease: Structural-based drug design, molecular docking, molecular dynamic simulation experiments, and ADMET predictions

A. Uzairu, S. Abechi, M. Al‐Ghorbani, 2023, Journal of the Indian Chemical Society.

Structure-Based Drug Design of Novel Piperazine Containing Hydrazone Derivatives as Potent Alzheimer Inhibitors: Molecular Docking and Drug Kinetics Evaluation

A. Uzairu, S. Abechi, A. Abduljelil, 2022, Brain Disorders.

Computer-aided molecular design of 2-anilino 4-amino substituted quinazolines derivatives as malarial inhibitors

A. Uzairu, S. Abechi, Z. Ibrahim, 2021, SN Applied Sciences.

Unveiling 1,3-Thiazine Derivative as a Potential Neuraminidase Inhibitor: Molecular Docking, Molecular Dynamics, ADMET and DFT Studies

A. Uzairu, P. Mamza, M. T. Ibrahim, 2023, Chemistry Africa.

Structure-based drug design, molecular dynamics simulation, ADMET, and quantum chemical studies of some thiazolinones targeting influenza neuraminidase.

H. Patel, A. Uzairu, P. Mamza, 2023, Journal of biomolecular structure & dynamics.

Application of QSAR Method in the Design of Enhanced Antimalarial Derivatives of Azetidine-2-carbonitriles, their Molecular Docking, Drug-likeness, and SwissADME Properties

A. Uzairu, S. Abechi, Z. Ibrahim, 2021, Iranian Journal of Pharmaceutical Research : IJPR.

Molecular docking-based virtual screening, drug-likeness, and pharmacokinetic profiling of some anti-Salmonella typhimurium cephalosporin derivatives

A. Uzairu, S. Uba, G. Shallangwa, 2023, Journal of Taibah University Medical Sciences.

Molecular phylogeny, Sequence-based drug design, Docking built virtual screening, dynamics simulations, and ADMET properties of thiazolino 2-pyridone amide derivatives as an inhibitor of Chlamydia trachomatis and SARS-CoV-2 protein

E. Edache, A. Uzairu, P. Mamza, 2023, Turkish Computational and Theoretical Chemistry.

Cheminformatics study of some indole compounds through QSAR modeling, ADME prediction, molecular docking, and molecular dynamic simulation to identify novel inhibitors of HCV NS5B protease

A. Uzairu, S. Abechi, S. Ejeh, 2023, Journal of the Indian Chemical Society.

Computational insight to design new potential hepatitis C virus NS5B polymerase inhibitors with drug-likeness and pharmacokinetic ADMET parameters predictions

A. Uzairu, S. Abechi, S. Ejeh, 2021, Future Journal of Pharmaceutical Sciences.

In silico design and pharmacokinetics investigation of some novel hepatitis C virus NS5B inhibitors: pharmacoinformatics approach

A. Uzairu, S. Abechi, S. Ejeh, 2022, Bulletin of the National Research Centre.

Computational design of quinoxaline molecules as VEGFR-2 inhibitors: QSAR modelling, pharmacokinetics, molecular docking, and dynamics simulation studies

A. Uzairu, S. Uba, Sagiru Hamza Abdullahi, 2023, Biocatalysis and Agricultural Biotechnology.

Ligand-based drug design of quinazolin-4(3H)-ones as breast cancer inhibitors using QSAR modeling, molecular docking, and pharmacological profiling

A. Uzairu, S. Uba, Sagiru Hamza Abdullahi, 2023, Journal of the Egyptian National Cancer Institute.

In-silico design of some pyrazolopyridine analogs as breast cancer inhibitors: QSAR modeling, molecular docking, MD simulation, and pharmacological features profiling

A. Uzairu, S. Uba, P. Srivastava, 2023, Journal of the Indian Chemical Society.

3D-QSAR, homology modelling of influenza hemagglutinin receptor (StrainA/WS/1933), molecular dynamics, DFT, and ADMET studies for newly designed inhibitors

A. Uzairu, P. Mamza, M. T. Ibrahim, 2023, Journal of the Indian Chemical Society.

2D QSAR, design, docking study and ADMET of some N-aryl derivatives concerning inhibitory activity against Alzheimer disease

A. Uzairu, S. Abechi, G. A. Shallangwa, 2022, Future Journal of Pharmaceutical Sciences.

Computational and pharmacokinetics studies of 1,3-dimethylbenzimidazolinone analogues of new proposed agent against Alzheimer's disease

A. Uzairu, S. Abechi, A. Ajala, 2022, Beni-Suef University Journal of Basic and Applied Sciences.

Combining docking, molecular dynamics simulations, AD-MET pharmacokinetics properties, and MMGBSA calculations to create specialized protocols for running effective virtual screening campaigns on the autoimmune disorder and SARS-CoV-2 main protease

E. Edache, A. Uzairu, P. Mamza, 2023, Frontiers in molecular biosciences.

2,4-disubstituted 6-fluoroquinolines as potent antiplasmodial agents: QSAR, homology modeling, molecular docking and ADMET studies

A. Uzairu, G. Shallangwa, A. W. Mahmud, 2023, Journal of Taibah University Medical Sciences.

Molecular modelling studies of substituted indole derivatives as novel influenza a virus inhibitors.

A. Uzairu, P. Mamza, M. T. Ibrahim, 2023, Journal of biomolecular structure & dynamics.

Modelling of novel bornoel analogs as influenza a virus inhibitors through genetic function approximation, comparative molecular fields, molecular docking, and ADMET/Pharmacokinetic studies

A. Uzairu, P. Mamza, M. T. Ibrahim, 2023, Intelligent Pharmacy.

In-silico molecular modelling studies of some camphor imine based compounds as anti-influenza A (H1N1) pdm09 virus agents.

A. Uzairu, P. Mamza, M. T. Ibrahim, 2023, Journal of biomolecular structure & dynamics.

Molecular docking-based virtual screening, molecular dynamic simulation, and 3-D QSAR modeling of some pyrazolopyrimidine analogs as potent anti-filarial agents

A. Uzairu, G. A. Shallangwa, F. A. Ugbe, 2022, In Silico Pharmacology.

Quantitative Structure-Activity Relationship, Structure-based Design, and ADMET studies of pyrimethamine and cycloguanil analogs inhibitors of Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS).

A. Uzairu, S. Abechi, S. Isyaku, 2022, Chemical Physics Impact.

Cheminformatics-based discovery of new organoselenium compounds with potential for the treatment of cutaneous and visceral leishmaniasis.

E. Edache, A. Uzairu, W. Al-Megrin, 2023, Journal of biomolecular structure & dynamics.

Pharmacoinformatics-based strategy in designing and profiling of some Pyrazole analogues as novel hepatitis C virus inhibitors with pharmacokinetic analysis

A. Uzairu, S. Abechi, S. Ejeh, 2023, Egyptian Journal of Basic and Applied Sciences.

Chemoinformatic design and profiling of some derivatives of 1, 2, 4-oxadiazole as potential dengue virus NS-5 inhibitors

P. Mamza, S. Adawara, I. Abdulkadir, 2022, Bulletin of the National Research Centre.

Towards designing of some potential new autoimmune disorder inhibitors using crystal structures and Hirshfeld surface analyses in combination with molecular docking and molecular dynamics simulations

E. Edache, A. Uzairu, P. Mamza, 2023, Intelligent Pharmacy.

Methimazole and propylthiouracil Design as a Drug for Anti-Graves' Disease: Structural Studies, Hirshfeld Surface Analysis, DFT Calculations, Molecular Docking, Molecular Dynamics Simulations, and Design as a Drug for Anti-Graves' Disease

E. Edache, M. Azam, A. Uzairu, 2023, Journal of Molecular Structure.

Molecular Docking Investigation, Pharmacokinetic Analysis, and Molecular Dynamic Simulation of Some Benzoxaborole-Benzimidazole Hybrids: An Approach to Identifying Superior Onchocerca Inhibitors

A. Uzairu, F. A. Ugbe, I. Abdulkadir, 2023, Borneo Journal of Pharmacy.

Design of more potent quinazoline derivatives as EGFRWT inhibitors for the treatment of NSCLC: a computational approach

A. Uzairu, S. Uba, M. T. Ibrahim, 2021, Future Journal of Pharmaceutical Sciences.

Design of some potent non-toxic autoimmune disorder inhibitors based on 2D-QSAR, CoMFA, molecular docking, and molecular dynamics investigations

E. Edache, A. Uzairu, P. Mamza, 2024, Intelligent Pharmacy.

Structure-based design, drug-likeness, and pharmacokinetic studies of novel substituted pyrimidine derivatives as potent HCV NS3/A4 protease inhibitors

A. Uzairu, S. Abechi, S. Ejeh, 2022, Biocatalysis and Agricultural Biotechnology.

Determination of Lead and Cadmium in Synthetic and Natural Hair Dyes in Morocco Using Differential Pulse Polarography

H. Benzeid, M. Bouatia, Y. Rahali, 2021 .

2D-QSAR, Docking, Molecular Dynamics Simulations with the MM/GBSA Approaches against Graves' Disease and PTPN22

Gideon Adamu Shallangwa, E. Edache, A. Uzairu, 2023, Borneo Journal of Pharmacy.

Evaluation of novel Anti-SARS-CoV-2 compounds by targeting nucleoprotein and envelope protein through homology modeling, docking simulations, ADMET, and molecular dynamic simulations with the MM/GBSA calculation

E. Edache, A. Uzairu, P. Mamza, 2024, Intelligent Pharmacy.

Computer-Aided Drug Design and ADMET of Novel Potent Dengue Virus NS-5 Inhibitors

P. Mamza, S. Adawara, I. Abdulkadir, 2022, Chemistry Africa.

Virtual screening and molecular dynamic simulations of the antimalarial derivatives of 2-anilino 4-amino substituted quinazolines docked against a Pf-DHODH protein target

A. Uzairu, S. Abechi, G. A. Shallangwa, 2022, Egyptian Journal of Medical Human Genetics.