Search Results - "Uzairu, Adamu"
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Computational studies of a series of 2-substituted phenyl-2-oxo-, 2-hydroxyl- and 2-acylloxyethylsulfonamides as potent anti-fungal agents
Published in Heliyon (01-04-2020)“…Botrytis Cinerea is a plant pathogen that affect a large number of plant species like tomatoes, Lettuce, Grapes, and Strawberries among others. Sulfonamides…”
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2
Virtual screening, pharmacokinetic, and DFT studies of anticancer compounds as potential V600E-BRAF kinase inhibitors
Published in Journal of Taibah University Medical Sciences (01-10-2023)“…kinase is an essential therapeutic target in melanoma and other types of tumors. Because of its resistance to known inhibitors and the adverse effects of some…”
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3
QSAR modeling, molecular docking and ADMET/pharmacokinetic studies: a chemometrics approach to search for novel inhibitors of norepinephrine transporter as potent antipsychotic drugs
Published in Journal of the Iranian Chemical Society (01-08-2020)“…Chemometrics study that relates biological activity to physicochemical descriptors of a molecule and the prediction of absorption, distribution, metabolism,…”
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4
Modelling PIP4K2A inhibitory activity of 1,7-naphthyridine analogues using machine learning and molecular docking studies
Published in RSC advances (24-01-2023)“…PIP4K2A is a type II lipid kinase that catalyzed the rate-limiting step of the conversion of phosphatidylinositol-5-phosphate (PI5P) into phosphatidylinositol…”
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5
QSAR, molecular docking, design, and pharmacokinetic analysis of 2-(4-fluorophenyl) imidazol-5-ones as anti-breast cancer drug compounds against MCF-7 cell line
Published in Journal of bioenergetics and biomembranes (01-12-2020)“…The anti-proliferative activities of Novel series of 2-(4-fluorophenyl) imidazol-5-ones against MCF-7 breast cancer cell line were explored via in-slico…”
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6
Molecular docking study and structure‐based design of novel camptothecin analogues used as topoisomerase I inhibitor
Published in Journal of the Chinese Chemical Society (Taipei) (01-10-2018)“…The paper describes the molecular docking study of the inhibition of human topoisomerase I (Top1), which is the molecular target of a diverse set of anticancer…”
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7
Development and Validation of Predictive Quantitative Structure–Activity Relationship Models for Estrogenic Activities of Hydroxylated Polychlorinated Biphenyls
Published in Environmental toxicology and chemistry (01-04-2023)“…Disruption of the endocrine system by hydroxylated polychlorinated biphenyls (OH‐PCBs) is hypothesized, among other potential mechanisms, to be mediated via…”
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8
Molecular docking simulation, drug-likeness assessment, and pharmacokinetic study of some cephalosporin analogues against a penicillin-binding protein of Salmonella typhimurium
Published in Journal of antibiotics (01-04-2023)“…In pursuit of novel antibiotics that could curb the growing trend of multidrug resistance by Salmonella typhimurium, a data set of some cephalosporin analogues…”
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9
Quantitative structure–activity relationship modeling of hydroxylated polychlorinated biphenyls as constitutive androstane receptor agonists
Published in Structural chemistry (01-04-2023)“…Hydroxylated polychlorinated biphenyls (OH-PCBs), a series of toxic chemical compounds produced via biotic and abiotic transformation of polychlorinated…”
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10
Computer modeling of some anti-breast cancer compounds
Published in Structural chemistry (01-04-2021)“…The research was aimed at exploring the biological activities of novel series of β-lactam derivatives against MCF-7 breast cancer cell lines via computer…”
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11
Computational modeling and molecular dynamics studies of methyl sulfonyl acetate derivatives as potent SmTGR inhibitors: insights into binding interactions
Published in Molecular simulation (12-10-2024)“…Schistosomiasis, a neglected tropical disease caused by flatworms of the Schistosoma genus, can lead to severe health complications such as Hepatosplenomegaly,…”
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12
Ligand-based design of chalcone analogues and thermodynamic analysis of their mechanism of free radical scavenge
Published in Journal of molecular modeling (27-02-2021)“…Overproduction of free radicals in the body may result in oxidative stress, which plays an active role in the development of various health disorders…”
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13
In-silico studies of some oxadiazoles derivatives as anti-diabetic compounds
Published in Journal of King Saud University. Science (01-01-2020)“…An in-silico study was performed to investigate the anti-diabetic activities of 27 Oxadiazoles derivatives. The anti-diabetic compounds were optimized using…”
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14
New flavone-based arylamides as potential V600E-BRAF inhibitors: Molecular docking, DFT, and pharmacokinetic properties
Published in Journal of Taibah University Medical Sciences (01-10-2023)“…يعتبر بروتين كيناز "ب.ر.أ.ف.في-600إي" هدفا علاجيا جذابا وأساسيا في علاج سرطان الجلد وأنواع أخرى من الأورام. ومع ذلك، فإن مقاومته للمثبطات والآثار الجانبية…”
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15
In silico QSAR and molecular docking simulation of some novel aryl sulfonamide derivatives as inhibitors of H5N1 influenza A virus subtype
Published in Beni-Suef University journal of basic and applied sciences (22-01-2020)“…Background This research provides a comprehensive analysis of QSAR modeling performed on 25 aryl sulfonamide derivatives to predict their effective…”
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16
Theoretical study on endocrine disrupting effects of polychlorinated dibenzo‐p‐dioxins using molecular docking simulation
Published in Journal of applied toxicology (01-02-2021)“…Polychlorinated dibenzo‐p‐dioxins (PCDDs) are hypothesized to exert their toxic effects in wildlife and humans via endocrine disruption. However, very scanty…”
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17
Theoretical modeling for predicting the activities of some active compounds as potent inhibitors against Mycobacterium tuberculosis using GFA-MLR approach
Published in Journal of King Saud University. Science (01-01-2020)“…Tuberculosis (TB) is of one the most infectious disease caused by Mycobacterium tuberculosis which remains a serious public health problem. Emergence of…”
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18
Free radical scavenging mechanism of 1,3,4-oxadiazole derivatives: thermodynamics of O–H and N–H bond cleavage
Published in Heliyon (01-03-2020)“…The thermodynamics of free radical scavenge of 1,3,4-oxadiazole derivatives towards oxygen-centred free radicals were investigated by the density functional…”
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19
Molecular docking studies, drug-likeness and in-silico ADMET prediction of some novel β-Amino alcohol grafted 1,4,5-trisubstituted 1,2,3-triazoles derivatives as elevators of p53 protein levels
Published in Scientific African (01-11-2020)“…Malaria is a killer disease caused by Plasmodium falciparum and is responsible for over a million death annually. Chloroquine, quinine, pyrimethamine,…”
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Unveiling potent inhibitors for schistosomiasis through ligand-based drug design, molecular docking, molecular dynamics simulations and pharmacokinetics predictions
Published in PloS one (26-06-2024)“…Schistosomiasis is a neglected tropical disease which imposes a considerable and enduring impact on affected regions, leading to persistent morbidity,…”
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