Czasopismo
Tytuł artykułu
Autorzy
Treść / Zawartość
Warianty tytułu
Języki publikacji
Abstrakty
Curcuma longa has been reported to impart fairness to human skin traditionally. However, the empirical evidence of this report has barely being actualized. Efforts were made by using Molecular Docking approach and Adsorption Distribution Metabolism Excretion and Toxicity (ADMET) analysis to identify the potential compounds responsible for imparting fairness. The results showed that the hit compounds - Turmerone, curlone, 6-Octadecenoic acid (Z)-, Ar-turmerone, 9-Octadecenoic acid and Hexanoic acid, 5-oxo-,ethyl ester were the most abundant compounds with percentages 16.7 %, 9.31 %, 9.19 %, 7.98 %, 6.65 % and 5.24 % have more stable binding affinity on the human tyrosinase-related protein 1 and ADMET analysis proved these hit compounds to be skin friendly.
Słowa kluczowe
Czasopismo
Rocznik
Tom
Strony
310-328
Opis fizyczny
Twórcy
autor
- Department of Chemistry, Imo State University, Owerri, Imo State, Nigeria
autor
- Department of Chemistry, Imo State University, Owerri, Imo State, Nigeria
Bibliografia
- [1] Adamczak, A., Ozarowski, M. & Karpiński, T.M. (2020). Curcumin, a natural antimicrobial agent with strain-specific activity. Pharmaceuticals, 13, 153
- [2] Agrawal, S.A., Naware, N.S. & Khobarekar, A.R. (2022). Plants and aesthetics. World Journal of Advanced Research and Reviews, 16 (2), 1184-1191
- [3] Arghya, C., Gulzar, A.R., Ali, A., Basharat, A.B., Sankar, S.S., Abhishek, N. & Nanda, A. (2020). Nano approach: Indian spices as antimicrobial agents. Ethno pharmacological investigation of Indian spices, 205-241.
- [4] Bhullar, K.S., Jha, A., Youssef, D. & Rupasinghe, H.P.V. (2013). Curcumin and its carbocyclic analogs: Structure-activity in relation to antioxidant and selected biological properties. Molecules, 18, 5389–5404
- [5] Braga, L. S., Leal, D. H., Kuca, K. & Ramalho, T. C. (2020). Perspectives on the Role of the Frontier Effective-for-Reaction Molecular Orbital (FERMO) in the Study of Chemical Reactivity: An Updated Review. Current Organic Chemistry, 24, 314 Volume 24, Issue 3, 314-331
- [6] Bukhari, S.N., Ibrahim, J., Oya, U.T., Muhammad S., Naeem, U.H. & Qin H.L. (2014). Biological activity and molecular docking studies of curcumin-related α, β-unsaturated carbonyl-based synthetic compounds as anticancer agents and mushroom tyrosinase inhibitors. Journal of Agricultural and Food Chemistry, 62 (24), 5538-5547
- [7] Bukhari, S.N.A., Ibrahim, J., Oya, U.T., Muhammad, S., Hassan, M.N. & Hua-Li, Q. (2014). Biological activity and molecular docking studies of curcumin-related α, β-unsaturated carbonyl-based synthetic compounds as anticancer agents and mushroom tyrosinase inhibitors. Journal of Agricultural and Food Chemistry, 62 (24), 5538-5547
- [8] Carmen, L. (2018). Purification and biological activity of oregonin, a novel bioactive diarylheptanoid found in the leaves and bark of Alnus rubra (red alder). University of Victoria, Canada
- [9] Chen, P., Mingyan, G., Wang, D., Wang, J., Huang, X., Wang, H. & Lin, Y. (2021). Experimental and density functional theory study of the influence mechanism of oxygen on NO heterogeneous reduction in deep air-staged combustion. Combustion and Flame, Volume 223, Pages 127-141
- [10] Chidiebere, C.W., Duru, C.E. & Mbagwu, JP.C. (2021). Application of computational chemistry in chemical reactivity: a review. J. Nig. Soc. Phys. Sci. 3(4), 292-297
- [11] Cortés-Rojas, D.F., Fernandes de Souza, C.R. & Oliveira, W.P. (2014) Clove (Syzygium aromaticum): a precious spice. Asian Pacific journal of tropical biomedicine, 4 (2), 90-96
- [12] Dehelean, C.A., Marcovici, I., Soica, C., Mioc, M., Coricovac, D., Iurciuc, S., Cretu, O.M. & Pinzaru, I. (2021). Plant-derived anticancer compounds as new perspectives in drug discovery and alternative therapy. Molecules, 26 (4), 1109
- [13] Deri, M.K., Goldfeder, M., Lecina, D., Guallar, V., Adir, N. & Fishman, A. (2016). The unravelling of the complex pattern of tyrosinase inhibition. Scientific Reports 6 (1), 34993
- [14] Du, Z.Y., Jiang, Y.F., Tang, Z.K., Mo, R.Q., Xue, G.H., Lu, Y.J., Zheng, X., Dong, C.Z. & Zhang, K. (2011). Antioxidant and tyrosinase inhibition of polyphenolic curcumin analogs. Biosci. Biotechnol. Biochem, 75, 2351-2358
- [15] Duru, C.E. & Duru, I.A. (2022). Computational Investigation of Infrared Vibrational Frequency Shift Modes in Schiff Base-Transition Metal Complexes. Journal of Applied Organometallic Chemistry, 2(2), 54-65
- [16] Duru, C.E., Duru, I.A. & Bilar A. (2020). Computational investigation of sugar fermentation inhibition by bergenin at the pyruvate decarboxylate isoenzyme 1 target of
- [17] Duru, C.E., Duru, I.A. & Adegboyega, A.E. In silico identification of compounds from Nigella sativa seed oil as potential inhibitors of SARS-CoV-2 targets. Bull Natl Res Cent 45, 57 (2021). https://doi.org/10.1186/s42269-021-00517-x
- [18] Duru, C.E., Duru, I.A. & Enyoh, C.E. In silico binding affinity analysis of microplastic compounds on PET hydrolase enzyme target of Ideonella sakaiensis. Bull Natl Res Cent 45, 104 (2021). https://doi.org/10.1186/s42269-021-00563-5
- [19] Duru, C.E., Duru, I.A., Ikpa, C.B.C., Enenebeaku, U.E., Obiagwu, I.C., Igbomezie, M.C. & Nnabuchi, M.A. (2021). In Silico Docking Studies of Bioactive Compounds in Ocimum gratissimum Essential Oil againstCandidapepsin-1 Enzyme from Candida albicans. Tropical Journal of National Product Research, 5(2), 364-369.
- [20] Duru, C.E., Duru, I.A., Ikpa, C.B.C., Enenebeaku, U.E., Obiagwu, I.C., Igbomezie, M.C. & Nnabuchi, M.A. (2021). In Silico docking studies of bioactive compounds in Ocimum gratissimum essential oil against Candidapepsin1 Enzyme from Candida albicans.Tropical Journal of Natural Product Research, 5, 364
- [21] Duru, C.E., Enyoh, C.E. & I.A. Duru (2023). Juxtaposing the Reactivity Descriptors of Plastic Monomers with their Binding Affinity at the Novel Polyester Hydrolase Target using Conceptual DFT and Machine Learning. Biointerface Research in Applied Chemistry, Volume 13, Issue 5, 456
- [22] Duru, C.E., Enyoh, C.E., Duru, I.A. & Enedoh, M.C. (2023). Degradation of PET Nanoplastic Oligomers at the Novel PHL7 Target: Insights from Molecular Docking and Machine Learning. J. Nig. Soc. Phys. Sci. 5, 1154
- [23] Duru, C.E., Umar, H.I., Duru, I.A. & Enenebeaku, U.E. (2021). Blocking the interactions between human ACE2 and coronavirus spike glycoprotein by selected drugs: a computational perspective. Environmental Analysis Health and Toxicology, 36(2), e2021010
- [24] Duru, I.A., Duru, C.E., Enyoh, C.E. & Umar, H.I. (2023). Computer-aided Degradation Susceptibility Study of Crude Oil Compounds at Bacillus subtilis Protein Target. Environ. Eng. Res. 28(3), 210565
- [25] Enenebeaku, U.E., Duru, C.E., Mgbemena, I.C., Ukwandu, N.C.D., Nwigwe, H.C., Enenebeaku, C.K. & Okotcha, E.N. (2021). Phytochemical Evaluation and Molecular Docking of Bioactive Compounds from the Roots of Dictyandra arborescens (Welw.) against Plasmodium berghei Protein Targets. Tropital Journal of Natural Product Research, 5(2), 370-381
- [26] Enenebeaku, U.E., Duru, C.E., Okotcha, E.N., Ogidi, O.I., Mgbemena, I.C., Nwigwe, H.C. & Enenebeaku, C.K. (2022). Phytochemical Analysis and Antioxidant Evaluation of Crude Extracts from the Roots, Stem and Leaves of Dictyandraarborescens (Welw.). Tropical Journal of Natural Product Research, 6(1), 62-70
- [27] Enenebeaku, U.E., Ukwandu, N.C., Mgbemena, I.C. et al. Oral acute toxicity and antimalarial potentials of aqueous and methanolic extracts of roots, leaves and stem of Dictyandra arborescens (Welw.) on Plasmodium berghei infected mice. Bull Natl Res Cent 45, 75 (2021). https://doi.org/10.1186/s42269-021-00530-0
- [28] Enyoh, C.E., Duru, C.E., Ovuoraye, P.E. & Wanga, Q. (2023). Evaluation of nanoplastics toxicity to the human placenta in systems. Journal of Hazardous Materials, 446, 130600
- [29] Firmansyah, D., Sumiwi, S.A., Saptarini, N.M. & Levita, J. (2021). Molecular Interaction Of Curcumin, Demethoxycurcumin, Bisdemethoxycurcumin, And Turmerone Of Curcuma Longa With Tyrosinase And Tyrosinase-Related Protein-1. Rasayan J. Chem. 14(4), 2298-2303. http://doi.org/10.31788/RJC.2021.1446418
- [30] Foda, F.F.A., Abo-El-Seoud, M.A. & El-Hadary, A.E. (2023). Antioxidant Properties and Total Polyphenolic Contents of Post Distillation Solid Residue Extract from Gamma-Irradiated Clove Buds. Journal of Agricultural Chemistry and Biotechnology, 14 (1), 7-12
- [31] Golshani, S.A., Hashemi, Z.H., Ranjbar, A. & Zarshenas, M.M. (2023). Use of Khadab for beauty, health, and hair strengthening in the works of Rhazes (c. 854-925 CE). Pharmaceutical Historian, 53 (2), 58-60
- [32] Gülçin, İ., Elmastaş, M. & Aboul-Enein, H.Y. (2012). Antioxidant activity of clove oil–A powerful antioxidant source. Arabian Journal of Chemistry, 5 (4), 489-499
- [33] Guohong, F., Wang, Q., Hong, X., Wang, X., Xianxian, T. & Xiangfeng, C. (2021). Single Cr atom supported on boron nitride nanotubes for the reaction of N2O reduction by CO: A density functional theory study. Applied Surface Science, 544, 148776
- [34] Hussain, R., Muhammad, S., Mehboob, M.Y., Khan, S.U., Khan, M.U., Adnan, M., Ahmed, M., Iqbal, J. & Ayub, K., (2020). Density functional theory study of palladium cluster adsorption on a graphene support. RSC Advances, 10-20595
- [35] Itakura, M., Yamaguchi, M., Egusa, D. & Abe, E. (2021). Density functional theory study of solute cluster growth processes in Mg-Y-Zn LPSO alloys. Acta Materialia, 203 -116491.
- [36] Jafari, Z., Baharfar, R., Shokuhi, A.R. & Asghari, S. (2020). Potential of graphene oxide as a drug delivery system for Sumatriptan: a detailed density functional theory study. J Biomol Struct Dyn 39(5): 1611-1620
- [37] Jakubczyk, K., Druzga, A., Katarzyna, J., Skonieczna & Zydecka, K. (2020). Antioxidant potential of curcumin–A meta-analysis of randomized clinical trials. Antioxidants, 9, 1092
- [38] Jennings, M.R. & Parks, R.J. (2020). Curcumin as an antiviral agent. Viruses, 12, 1242.
- [39] Jiang, Y., Du, Z., Xue, G., Chen, Q., Lu, Y., Zheng, X., Conney, A.H. & Zhang, K. (2013). Synthesis and biological evaluation of unsymmetrical curcumin analogues as tyrosinase inhibitors. Molecules, 18, 3948–3961
- [40] Jirovetz, L., Buchbauer, G., Stoilova, I., Stoyanova, A., Krastanov, A. & Schmidt, E. (2006). Chemical composition and antioxidant properties of clove leaf essential oil. Journal of Agricultural and Food Chemistry, 54 (17), 6303-6307
- [41] Johnson, T.O., Odoh, K.D., Akinanmi, A.O. & Adegboyega, A.E. (2020). Biochemical evaluation and molecular docking assessment of the anti-infammatory potential of Phyllanthus nivosus leaf against ulcerative colitis. Heliyon 6: e03893. https://doi.org/10.1016/j.heliyon.2020.e03893
- [42] Keunhong, J., Jeong, H.J., Gunwoo, L., Kim, S.H., Kwang, H.K. & Chang, G.Y. (2020). Catalytic effect of alkali and alkaline earth metals in lignin pyrolysis: A density functional theory study. Energy & Fuels, 34, 9734
- [43] Kumar, S., Kumar, A. & Samanta, K. (2023). Advance in Recent Poly-Herbal (Face Pack) Formulation, Assessment and Their Screening Potential to Acne-Prone, Dark & Dull Skin in Indian Cosmetics Field. Journal of Pharmaceutical Negative Results, 14 (2), 1443-1450
- [44] Lee, K.-H., Aziz, F.H., Syahida, A., Abas, F., Shaari, K., Israf, D.A. & Lajis, N.H. (2009). Synthesis and biological evaluation of curcumin-like diarylpentanoid analogues for anti-inflammatory, antioxidant and anti-tyrosinase activities. Eur. J. Med. Che. 44, 3195-3200
- [45] Li, J., Feng, L., Liu, L., Wang, F., Ouyang, L., Zhang, L., Hu, X. & Wang, G. (2021). Recent advances in the design and discovery of synthetic tyrosinase inhibitors, European Journal of Medicinal Chemistry 224, 113744
- [46] Liu, A., Guan, W., Kefan, W., Ren, X., Gao, L. & Tingli, M. (2021). Density functional theory study of nitrogen-doped graphene as a high-performance electrocatalyst for CO2RR. Applied Surface Science, 540 -148319
- [47] Madhura, B.S. & Tewin, T. (2018). The protective effect of some Thai plants and their bioactive compounds in UV light-induced skin carcinogenesis. Journal of Photochemistry and Photobiology B: Biology, 185, 80-89
- [48] Magisetty, O. (2021). Turmeric and Curcumin for Neurodegenerative Diseases. Elsevier. https://doi.org/10.1016/C2019-0-04219-7
- [49] Manish, P., Mrunmaya, K.P. & Hrudayanath, T. (2018). Developing Hispolon-based novel anticancer therapeutics against human (NF-κβ) using in silico approach of modelling, docking and protein dynamics. Journal of Biomolecular Structure and Dynamics, 23(1), 200-290
- [50] Muraleedharan, V., Kamath, G.S., Sasikumar, G., Panicker, S.P. (2023). Advantages of Functional Foods in Supporting and Maintaining Hair and Skin Health. In: Pathak, S., Banerjee, A., Duttaroy, A.K. (eds) Evidence-based Functional Foods for Prevention of Age-related Diseases. Springer, Singapore. https://doi.org/10.1007/978-981-99-0534-8_12
- [51] Mustarichie, R., Levita, J. & Febriani D. (2013). In-silico study of curcumin, demethoxycurcumin, and xanthorrizol as skin whitening agents. World Journal of Pharmaceutical Sciences, 1 (3), 72-80
- [52] Nishan, S. & Wickramasinghe, M. (2022). Development of an eco-friendly and cost-effective novel preparation of herbal textile-An Ayurvastra. Faculty of Science, University of Kelaniya, Sri Lanka
- [53] Nistico, S., Tamburi, F., Bennardo, L., Dastoli, S., Schipani, G., Caro, G., Fortuna, M.C. & Rossi, A. (2019). Treatment of telogen effluvium using a dietary supplement containing Boswellia serrata, Curcuma longa, and Vitis vinifera: Results of an observational study. Dermatol. Ther, 32, e12842
- [54] Nwofora, C.N., Duru, C.E. & Onyenwe, N.E. (2022). Computational identification of small molecules in Mitracarpusscaber ethanolic leaf extract with fungal keratinase inhibitory potentials. Journal of Natural Product Research, 2, 100010
- [55] Okoro, E., Barminas, R., Olarinoye, G., Magaji, D. & Umar, O. (2022). Knowledge, Attitude And Practice Of Skin Bleaching Among Adoleescents In Keffi, North-Central Nigeria. Nigerian Journal Of Dermatology, 12 (2)
- [56] Panahi, Y., Fazlolahzadeh, O., Atkin, S.L., Majeed, M., Butler, A.E., Johnston, T.P. & Sahebkar, A. (2019). Evidence of curcumin and curcumin analogue effects in skin diseases: A narrative review. J. Cell Physiol, 234, 1165-1178
- [57] Park, K., Byeong-Hyeon, J., Lim, H.Y. & Ji-Sang, P. (2021). Effect of chemical substitution on polytypes and extended defects in chalcopyrites: A density functional theory study. Journal of Applied Physics, 129, 025703
- [58] Resmi, M., Jutti, L. & Dini, F. (2013). In-silico study of curcumin, demethoxycurcumin, and xanthorrizol as skin whitening agents. World Journal of Pharmaceutical Sciences, 1 (3), 72-80
- [59] Rupsa, D., Tiffany, M.H., Sharick, J.T., Gillette, A.A. & Skala, M.C. (2020). Fluorescence lifetime imaging microscopy: fundamentals and advances in instrumentation, analysis, and applications. Journal of biomedical optics, 25 (7), 071-203
- [60] Salem, H.N., Kamel, N.O., Hassan, S.N. & Elhefnawy, S.M. (2023). Effect of application of turmeric extract powder solution on the color changes of non-vital teeth: An in-vitro study. Wolters Kluwer Medknow Publications 3(34)
- [61] Salem, W.H., Moussa, T.A. & Abou Abouraya, N.L. (2022). Cytotoxicity and antibacterial activity of bleached turmeric hydro-alcoholic extract versus sodium hypochlorite as an endodontic irrigant: in vitro study. Brazilian Dental Science, 25 (4)
- [62] Shakeel, A.S. & Gupta, D.C. (2020). Investigation of structural, elastic, thermophysical, magneto-electronic, and transport properties of newly tailored Mn-based Heuslers: A density functional theory study. International Journal of Quantum Chemistry, 120, 26216
- [63] Sharifi-Rad, J., Rayess, Y.E., Rizk, A.A., Sadaka, C., Zgheib, R., Zam, W., Sestito, S., Rapposelli, S., Neffe-Skoci ´nska, K. & Zieli ´nska, D. (2020). Turmeric and its major compound curcumin on health: Bioactive effects and safety profiles for food, pharmaceutical, biotechnological and medicinal applications. Front. Pharmacol, 11, 01021
- [64] Sheng, Y., Jing X., Lu, J.L., Ye, J.H., Chen, Z.J., Zhao, J.W., Liang, Y.R. & Zheng X.Q. (2022). Protective effects of gallocatechin gallate against ultraviolet B induced skin damages in hairless mice. Scientific Reports, 12 (1), 1-11
- [65] Shi, L., Huang, Y., Zhang-Hui, L., Wanglai, C., Xiaohu, Y., Qing, S., Gao, Z., Zhang, R. & Feng, G. (2021). Surface property of the Cu doped γ-Al2O3: A density functional theory study. Applied Surface Science, 535, 147651
- [66] Shirota, S., Miyazaki, K., Aiyama, R., Ichioka, M., & Yokokura, T. (2020). Tyrosinase inhibitors from crude drugs. Biol. Pharm. Bull, 17, 266-269
- [67] Sorkun M.C., Khetan A. & Er S. (2019). AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds. Sci Data, 6: 143. https://doi.org/10.1038/s41597-019-0151-1
- [68] Sun, Y.P., Mei, L.J., Hun, K.Y., Hee, Y.K. & Sang-Joon L. (2011). Aromatic-turmerone inhibits α-MSH and IBMX-induced melanogenesis by inactivating CREB and MITF signaling pathways. Archives of Dermatological Research, (303), 737-744
- [69] Taylor, D. S. & Holewinski, A. (2021). Selective Interactions between FreeAtom-like d-States in Single-Atom Alloy Catalysts and Near-Frontier Molecular Orbitals. Journal of the American Chemical Society, 13, 342
- [70] Tomeh, M.A., Hadianamrei, R. & Zhao, X. (2019). A review of curcumin and its derivatives as anticancer agents. Int. J. Mol. Sci, 20, 1033
- [71] Tsao, Y.C., Chang, Y.J., Wang, C.H. & Chen, L. (2020). Discovery of isoplumbagin as a novel NQO1 substrate and anti-cancer quinone. Int. J. Mol. Sci. 21(12): 4378. https://doi.org/10.3390/ijms21124378
- [72] Umar, H.I., Duru, I.A., Enenebeaku, U.E., Ngozi-Olehi, L.C., Enyoh, C.E. & Duru , C.E. (2022). Inhibitory potentials of ivermectin, nafamostat, and camostat on spike protein and some nonstructural proteins of SARS-CoV-2: Virtual screening approach. Jurnal Teknologi Laboratorium, 1, 33-42
- [73] Vollono, L., Falconi, M., Gaziano, R., Iacovelli, F., Dika, E., Terracciano, C., Bianchi, L. & Campione, E. (2019). Potential of curcumin in skin disorders. Nutrients, 11, 2169
- [74] Wang, F., Zhongling, L., Yan, L., Alessandro, S., Poblet, J. M. & de Graaf, C. (2021). Density functional theory study of single-molecule ferroelectricity in Preyssler-type polyoxometalates. APL Materials, 9, 021109
- [75] Wei, X., Miaomiao, M., Zhang, H., Wang, L. & Dong, C. (2021). Density functional theory study of ultra-thin In Se electrodes for Na and Mg ion storage and transport. Materials Letters, 285, 129091
- [76] Xiao, B.B., Yang, L., Liu, H.Y., Jiang, X.B., Aleksandr, B., Song, E.H. & Jiang, Q. (2021). Designing fluorographene with FeN4 and CoN4 moieties for oxygen electrode reaction: A density functional theory study. Applied Surface Science, 537, 147846
- [77] Yang, Y., Sun, A. & Eslami, M. (2021).A density functional theory study on detection of amphetamine drug by silicon carbide nanotubes. Physica E: Low-dimensional Systems and Nanostructures, 125, 114411
- [78] Yuan, C., Zhang, C., Shenghui, Y., Xu, H., Xin, L., Fang, Q. & Chen, G. (2020). Experimental and Density Functional Theory Study of the Adsorption Characteristics of CaO for SeO2 in Simulated Flue Gas and the Effect of CO2. Energy & Fuels, 34, 10872
- [79] Zhao, P., Boekfa, B., Ken-ichi, S., Ogura, M. & Ehara, M. (2021). Selective catalytic reduction of NO with NH3 over Cu-exchanged CHA, GME, and AFX zeolites: a density functional theory study. Catalysis Science & Technology, 11, 1780
- [80] Zheng, D., Huang, C., Huang, H., Zhao, Y., Khan, M.R.U., Zhao, H. & Huang, L. (2020). Antibacterial mechanism of curcumin: A review. Chem. Biodivers, 17, e2000171
Typ dokumentu
article
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.psjd-b40479d8-4057-4b9f-a459-18447faa838d