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Multi Receptor Targeting of Potential Bioactive Compound Obtained from Chloroform Extract of Asparagus racemosus by GC-MS Analysis: A in silico Based Approach
Corresponding Author(s) : Sandip Sen
Asian Journal of Chemistry,
Vol. 36 No. 8 (2024): Vol 36 Issue 8, 2024
Abstract
Previous reports indicate that the medicinal plants and their components have been utilized for treating diverse conditions since antiquity. Asparagus racemosus, in particular, demonstrates a broad spectrum of therapeutic possibilities. This study aimed to underscores the potential bioactive compounds found within the chloroform extract of Asparagus racemosus. Gas-chromatography employed to identify the presence of various molecules, while mass spectrometry and FTIR analysis validated their molecular structures. The molecules were analyzed to assess its suitability as a therapeutic candidate, their biological activity and predicted targets using in silico techniques. The chloroform extract stands out as the richest reservoir of carbohydrates and steroidal alkaloids. Molecule (5β)-pregnane-3,20β-diol, 14α,18α-[4-methyl-3-oxo-(1-oxa-4-azabutane-1,4-diyl)]diacetate was found in the highest concentration (42.28 %). The identified molecule is a steroidal alkaloid in nature and the computational analysis revealed promising drug-like properties and therapeutic potential for the investigated molecule.
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N. Sahoo and P. Manchikanti, J. Altern. Complement. Med., 19, 957 (2013); https://doi.org/10.1089/acm.2012.0275
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D.K. Semwal, A. Chauhan, A. Kumar, S. Aswal, R.B. Semwal and A. Kumar, J. Integr. Med., 17, 238 (2019); https://doi.org/10.1016/j.joim.2019.04.008
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F. Malongane, L.J. McGaw and F.N. Mudau, J. Sci. Food Agric., 97, 4679 (2017); https://doi.org/10.1002/jsfa.8472
R. Yadav, R.K. Khare and A. Singhal, Int. J. Life. Sci. Sci. Res., 3, 844 (2017).
A.M. Juszczak, M. Zovko-Konèic and M. Tomczyk, Biomolecules, 9, 731 (2019); https://doi.org/10.3390/biom9110731
P. Satapute, M.K. Paidi, M. Kurjogi and S. Jogaiah, Environ. Pollut., 251, 555 (2019); https://doi.org/10.1016/j.envpol.2019.05.054
S. Fan, J. Chang, Y. Zong, G. Hu and J. Jia, Molecules, 23, 576 (2018); https://doi.org/10.3390/molecules23030576
S. Razack, K.H. Kumar, I. Nallamuthu, M. Naika and F. Khanum, Antioxidants, 4, 185 (2015); https://doi.org/10.3390/antiox4010185
S. Mirunalini and M. Krishnaveni, J. Basic Clin. Physiol. Pharmacol., 21, 93 (2010); https://doi.org/10.1515/JBCPP.2010.21.1.93
R. Vishwakarma and P.K. Goswami, Ayu, 34, 17 (2013); https://doi.org/10.4103/0974-8520.115438
J.P. Kamat, K.K. Boloor, T.P. Devasagayam and S.R. Venkatachalam, J. Ethnopharmacol., 71, 425 (2000); https://doi.org/10.1016/S0378-8741(00)00176-8
G. Sliwoski, S. Kothiwale, J. Meiler and E.W. Lowe Jr., Pharmacol. Rev., 66, 334 (2013); https://doi.org/10.1124/pr.112.007336
K. Lee and D. Kim, Genes, 10, 906 (2019); https://doi.org/10.3390/genes10110906
I. Lamers and P. Feys, Mult. Scler., 20, 775 (2014); https://doi.org/10.1177/1352458514525677
D.S. Kumar, D. Karthikeyan and B. Roy, Asian J. Chem., 34, 342 (2022); https://doi.org/10.14233/ajchem.2022.23521
G.M. Morris and M. Lim-Wilby, Methods Mol. Biol., 443, 365 (2008); https://doi.org/10.1007/978-1-59745-177-2_19
B. Chibuye, I.S. Singh, L. Chimuka Luke and K.K. Maseka, Sci. African, 19, e01585 (2023); https://doi.org/10.1016/j.sciaf.2023.e01585
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D.S. Kumar, D. Karthikeyan and B. Roy, Asian J. Chem., 34, 1401 (2022); https://doi.org/10.14233/ajchem.2022.23624
A. Nicholls, G.B. McGaughey, R.P. Sheridan, A.C. Good, G. Warren, M. Mathieu, S.W. Muchmore, S.P. Brown, J.A. Grant, J.A. Haigh, N. Nevins, A.N. Jain and B. Kelley, J. Med. Chem., 53, 3862 (2010); https://doi.org/10.1021/jm900818s
R. Rohs, I. Bloch, H. Sklenar and Z. Shakked, Nucleic Acids Res., 33, 7048 (2005); https://doi.org/10.1093/nar/gki1008
O. Méndez-Lucio and J.L. Medina-Franco, Drug Discov. Today, 22, 120 (2017); https://doi.org/10.1016/j.drudis.2016.08.009
L.Z. Benet, C.M. Hosey, O. Ursu and T.I. Oprea, Adv. Drug Deliv. Rev., 101, 89 (2016); https://doi.org/10.1016/j.addr.2016.05.007
S. Prasanna and R.J. Doerksen, Curr. Med. Chem., 16, 21 (2009); https://doi.org/10.2174/092986709787002817
D. Ji, M. Xu, C.C. Udenigwe and D. Agyei, Curr. Res. Food Sci., 3, 41 (2020); https://doi.org/10.1016/j.crfs.2020.03.001
A. Husain, A. Ahmad, S.A. Khan, M. Asif, R. Bhutani and F.A. Al-Abbasi, Saudi Pharm. J., 24, 104 (2016); https://doi.org/10.1016/j.jsps.2015.02.008
L.F. Prescott, Med. Clin. North Am., 58, 907 (1974); https://doi.org/10.1016/S0025-7125(16)32088-0
M.D. Wessel, P.C. Jurs, J.W. Tolan and S.M. Muskal, J. Chem. Inf. Comput. Sci., 38, 726 (1998); https://doi.org/10.1021/ci980029a
W.M. Pardridge, J. Cereb. Blood Flow Metab., 32, 1959 (2012); https://doi.org/10.1038/jcbfm.2012.126
Y. Tanigawara, Ther. Drug Monit., 22, 137 (2000); https://doi.org/10.1097/00007691-200002000-00029
J.H. Lin and A.Y. Lu, Clin. Pharmacokinet., 35, 361 (1998); https://doi.org/10.2165/00003088-199835050-00003
D Gfeller, A Grosdidier, M Wirth, A Daina, O Michielin, V Zoete, Nucleic Acids Res., 42(Web Server issue), W32-8 (2014); https://doi.org/10.1093/nar/gku293