Computer aided and experimental study of cinnamic acid analog for oxidative stress treatment: The therapeutic validations

Informatics in Medicine Unlocked - Tập 35 - Trang 101137 - 2022
Oluwafemi Adeleke Ojo1,2, Akingbolabo Daniel Ogunlakin1,2, Matthew Iyobhebhe3, Christopher Busayo Olowosoke4,5, Odunayo Anthonia Taiwo6, Akolade Akinola1,2, Daniel Fadiora1,2, Adeshina Isaiah Odugbemi2, Gideon Ampoma Gyebi7, Charles Obiora Nwonuma3, Adebola Busola Ojo8, Omolara Olajumoke Ojo8
1Bowen University SDG 03 (Good Health and Wellbeing Research Cluster), Nigeria
2Phytomedicine, Molecular Toxicology, and Computational Biochemistry Research Laboratory (PMTCB-RL), Department of Biochemistry, Bowen University, Iwo, 232101, Nigeria
3Department of Biochemistry, Landmark University, Omu-Aran, Nigeria
4Department of Biotechnology, Federal University of Technology, Akure, PMB 704 Futa Road, Ondo, Nigeria
5Department of Biotechnology, Chrisland University, Abeokuta, Nigeria
6Department of Biochemistry, Chrisland University, Abeokuta, Nigeria
7Natural products and Structural (Bio-Chem)-Informatics Research Laboratory (NpsBC-RI), Department of Biochemistry, Bingham University, Karu, Nigeria
8Department of Biochemistry, Ekiti State University, Ado-Ekiti, Nigeria

Tài liệu tham khảo

van Raamsdonk, 2017, Oxidative stress in neurodegenerative disease: causation or association?, Oncotarget, 8, 10777, 10.18632/oncotarget.14650 Ojo, 2021, Deciphering the interactions of bioactive compounds in selected traditional medicinal plants against alzheimer's diseases via pharmacophore modeling, auto-QSAR, and molecular docking approaches, Molecules, 26, 10.3390/molecules26071996 Ojo, 2022, Antidiabetic activity of avocado seeds (persea americana mill.) in diabetic rats via activation of PI3K/AKT signaling pathway, Sci Rep, 12, 1, 10.1038/s41598-022-07015-8 Thomford, 2018, Natural products for drug discovery in the 21st century: innovations for novel drug discovery, Int J Mol Sci, 19, 1578, 10.3390/ijms19061578 Tresserra-Rimbau, 2018, Polyphenols, food and pharma. Current knowledge and directions for future research, Biochem Pharmacol, 156, 186, 10.1016/j.bcp.2018.07.050 Kumar, 2019, Phenolic acids: natural versatile molecules with promising therapeutic applications, Biotechnology Reports, 24, 10.1016/j.btre.2019.e00370 Hanhineva, 2010 Adisakwattana, 2017, Cinnamic acid and its derivatives: mechanisms for prevention and management of diabetes and its complications, Nutrients, 9, 10.3390/nu9020163 De Cássia Da Silveira E Sá, 2014, A review on anti-inflammatory activity of phenylpropanoids found in essential oils, mdpi.com, 19, 1459 Anantharaju, 2016, An overview on the role of dietary phenolics for the treatment of cancers, Nutr J, 15, 10.1186/s12937-016-0217-2 Küçükgüzel, 2001 Ojo, 2022, Syzygium aromaticum (L.) merr. & L.M.perry mitigates iron-mediated oxidative brain injury via in vitro, ex vivo, and in silico approaches, J Mol Struct, 1268, 10.1016/j.molstruc.2022.133675 Salau, 2021, Caffeic acid protects against iron-induced cardiotoxicity by suppressing angiotensin-converting enzyme activity and modulating lipid spectrum, gluconeogenesis and nucleotide hydrolyzing enzyme activities, Biol Trace Elem Res, 199, 1052, 10.1007/s12011-020-02227-3 Erukainure, 2017, Dacryodes edulis enhances antioxidant activities, suppresses DNA fragmentation in oxidative pancreatic and hepatic injuries; and inhibits carbohydrate digestive enzymes linked to type 2 diabetes, Biomed Pharmacother, 96, 37, 10.1016/j.biopha.2017.09.106 Kozakov, 2015, FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins, Nat Protoc, 10, 733, 10.1038/nprot.2015.043 Schöning-Stierand, 2020, ProteinsPlus: interactive analysis of protein–ligand binding interfaces, Nucleic Acids Res, 48, W48, 10.1093/nar/gkaa235 Omoboyede, 2022, Designing a vaccine-based therapy against Epstein-Barr virus-associated tumors using immunoinformatics approach, Comput Biol Med, 150, 10.1016/j.compbiomed.2022.106128 Olowosoke, 2020, Citrullus lanatus natural product library: a hoard of viable potential inhibitor candidates for diabetes mellitus type II therapeutic target enzymes, World J Adv Res Rev, 15, 534, 10.30574/wjarr.2022.15.1.0713 Bashir, 2022, Preclinical anti-inflammatory and antioxidant effects of Azanza garckeana in STZ-induced glycemic-impaired rats, and pharmacoinformatics of it major phytoconstituents, Biomed Pharmacother, 152 Olowosoke, 2022, Insilico validation of selected natural products as multi-regulator of EZH2-PPAR therapeutic targets, A Hallmark for Prospective Restoration of Pancreatic Insulin Production and Cancer dysregulation Grimme, 2010, A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu, J Chem Phys, 132, 10.1063/1.3382344 Das, 2020, Comparative assessment of antioxidant, anti-diabetic and cytotoxic effects of three peel/shell food waste extract-mediated silver nanoparticles, Int J Nanomed, 15, 9075, 10.2147/IJN.S277625 Liang, 2019, 1 Shin, 2018, Catalase and nonalcoholic fatty liver disease, Pflügers Arch. - Eur. J. Physiol., 470, 1721, 10.1007/s00424-018-2195-z Ho, 2004 Ajiboye, 2019, Cnidoscolus aconitifolius (mill.) I. M. Johnst leaf extract prevents oxidative hepatic injury and improves muscle glucose uptake ex vivo, J Food Biochem, 43, 10.1111/jfbc.13065 Ojo, 2022, Antidiabetic activity of elephant grass (cenchrus purpureus (schumach.) morrone) via activation of PI3K/AkT signaling pathway, oxidative stress inhibition, and apoptosis in wistar rats, Front Pharmacol, 13, 1, 10.3389/fphar.2022.845196 Ojo, 2022, A review on the pharmacological activity, chemical properties and pharmacokinetics of main isoflavonoid, Nat Prod J, 12 Alevizopoulos, 2014, Na+/K+ ATPase inhibitors in cancer, Curr Drug Targets, 15, 988, 10.2174/1389450115666140908125025 Srikanthan, 2016, The role of Na/K-ATPase signaling in oxidative stress related to obesity and cardiovascular disease, Molecules, 21, 1172, 10.3390/molecules21091172 Liu, 2018, Targeting Na/K-ATPase signaling: a new approach to control oxidative stress, Curr Pharmaceut Des, 24, 359, 10.2174/1381612824666180110101052 Liu, 2022, Blockage of the Na-K-ATPase signaling-mediated oxidant amplification loop elongates red blood cell half-life and ameliorates uremic anemia induced by 5/6th PNx in C57BL/6 mice, Am. J. Physiol. Ren. Physiol., 322, F655, 10.1152/ajprenal.00189.2021 Zhou, 2022, A small-molecule lycorine derivative reveals Na+/K+-ATPase α3 as an anti-obesity target, bioRxiv preprint, 2022 Ajiboye, 2018, Ethyl acetate leaf fraction of cnidoscolus aconitifolius (mill.) I. M. Johnst: antioxidant potential, inhibitory activities of key enzymes on carbohydrate metabolism, cholinergic, monoaminergic, purinergic, and chemical fingerprinting, Int J Food Prop, 21, 1697, 10.1080/10942912.2018.1504787 Gorelik, 2022, Crystal structure of the nucleotide‐metabolizing enzyme NTPDase4, Protein Sci, 29, 2054, 10.1002/pro.3926 Zhang, 2022, Correlation analysis of plasma myeloperoxidase level with global registry of acute coronary events score and prognosis in patients with acute non-ST-segment elevation myocardial infarction, Front Med, 9 Al-Rashida, 2014, Therapeutic potentials of ecto-nucleoside triphosphate diphosphohydrolase, ecto-nucleotide pyrophosphatase/phosphodiesterase, ecto-5'-nucleotidase, and alkaline phosphatase inhibitors, Med Res Rev, 34, 703, 10.1002/med.21302 Udoikono, 2022, Reactive azo compounds as a potential chemotherapy drugs in the treatment of malignant glioblastoma (GBM): experimental and theoretical studies, J Photochem Photobiol, A, 10 Ojo, 2021, Elucidating the interactions of compounds identified from aframomum melegueta seeds as promising candidates for the management of diabetes mellitus: a computational approach, Inform Med Unlocked, 26, 10.1016/j.imu.2021.100720 Garbett, 2012, Thermodynamic studies for drug design and screening, Expet Opin Drug Discov, 7, 299, 10.1517/17460441.2012.666235 Balogun, 2021, Computational evaluation of bioactive compounds from colocasia affinis schott as a novel EGFR inhibitor for cancer treatment, Cancer Inf, 20 Iwaloye, 2022, Fragment-based drug design, 2D-QSAR and DFT calculation: scaffolds of 1, 2, 4, triazolo [1, 5-a] pyrimidin-7-amines as potential inhibitors of plasmodium falciparum dihydroorotate dehydrogenase, Lett Drug Des Discov, 19