{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,11]],"date-time":"2026-05-11T13:51:23Z","timestamp":1778507483491,"version":"3.51.4"},"reference-count":52,"publisher":"MDPI AG","issue":"4","license":[{"start":{"date-parts":[[2022,2,16]],"date-time":"2022-02-16T00:00:00Z","timestamp":1644969600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004787","name":"The Research Council","doi-asserted-by":"publisher","award":["BFP\/RGP\/CBS\/21\/002"],"award-info":[{"award-number":["BFP\/RGP\/CBS\/21\/002"]}],"id":[{"id":"10.13039\/501100004787","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>The recent study investigated the in vitro anti-diabetic impact of the crude extract (MeOH) and subfractions ethyl acetate (EtOAc); chloroform; n-butanol; n-hexane; and aqueous fraction of S. edelbergii and processed the active EtOAc fraction for the identification of chemical constituents for the first time via ESI-LC-MS analysis through positive ionization mode (PIM) and negative ionization mode (NIM); the identified compounds were further validated through computational analysis via standard approaches. The crude extract and subfractions presented appreciable activity against the \u03b1-glucosidase inhibitory assay. However, the EtOAc fraction with IC50 = 0.14 \u00b1 0.06 \u00b5g\/mL revealed the maximum potential among the fractions used, followed by the MeOH and n-hexane extract with IC50 = 1.47 \u00b1 0.14 and 2.18 \u00b1 0.30 \u00b5g\/mL, respectively. Moreover, the acarbose showed an IC50 = 377.26 \u00b1 1.20 \u00b5g\/ mL whereas the least inhibition was observed for the chloroform fraction, with an IC50 = 23.97 \u00b1 0.14 \u00b5g\/mL. Due to the significance of the EtOAc fraction, when profiled for its chemical constituents, it presented 16 compounds among which the flavonoid class was dominant, and offered eight compounds, of which six were identified in NIM, and two compounds in PIM. Moreover, five terpenoids were identified\u2014three and two in NIM and PIM, respectively\u2014as well as two alkaloids, both of which were detected in PIM. The EtOAc fraction also contained one phenol that was noticed in PIM. The detected flavonoids, terpenoids, alkaloids, and phenols are well-known for their diverse biomedical applications. The potent EtOAc fraction was submitted to computational analysis for further validation of \u03b1-glucosidase significance to profile the responsible compounds. The pharmacokinetic estimations and protein-ligand molecular docking results with the support of molecular dynamic simulation trajectories at 100 ns suggested that two bioactive compounds\u2014dihydrocatalpol and leucosceptoside A\u2014from the EtOAc fraction presented excellent drug-like properties and stable conformations; hence, these bioactive compounds could be potential inhibitors of alpha-glucosidase enzyme based on intermolecular interactions with significant residues, docking score, and binding free energy estimation. The stated findings reflect that S. edelbergii is a rich source of bioactive compounds offering potential cures for diabetes mellitus; in particular, dihydrocatalpol and leucosceptoside A could be excellent therapeutic options for the progress of novel drugs to overcome diabetes mellitus.<\/jats:p>","DOI":"10.3390\/molecules27041322","type":"journal-article","created":{"date-parts":[[2022,2,16]],"date-time":"2022-02-16T21:36:24Z","timestamp":1645047384000},"page":"1322","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":20,"title":["Identification of \u03b1-Glucosidase Inhibitors from Scutellaria edelbergii: ESI-LC-MS and Computational Approach"],"prefix":"10.3390","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8839-4419","authenticated-orcid":false,"given":"Muddaser","family":"Shah","sequence":"first","affiliation":[{"name":"Department of Botany, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan"},{"name":"Natural and Medical Sciences Research Center, University of Nizwa, P.O. Box 33, Birkat Al Mauz, Nizwa 616, Oman"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hazir","family":"Rahman","sequence":"additional","affiliation":[{"name":"Department of Microbiology, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ajmal","family":"Khan","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Center, University of Nizwa, P.O. Box 33, Birkat Al Mauz, Nizwa 616, Oman"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9585-9042","authenticated-orcid":false,"given":"Shabana","family":"Bibi","sequence":"additional","affiliation":[{"name":"Yunnan Herbal Laboratory, College of Ecology and Environmental Sciences, Yunnan University, Kunming 650091, China"},{"name":"International Joint Research Center for Sustainable Utilization of Cordyceps Bio Resources in China and Southeast Asia, Yunnan University, Kunming 650091, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7388-4888","authenticated-orcid":false,"given":"Obaid","family":"Ullah","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Center, University of Nizwa, P.O. Box 33, Birkat Al Mauz, Nizwa 616, Oman"},{"name":"Department of Chemistry, University of Malakand, Chakdara 18800, Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Saeed","family":"Ullah","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Center, University of Nizwa, P.O. Box 33, Birkat Al Mauz, Nizwa 616, Oman"},{"name":"H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Science, University of Karachi, Karachi 75270, Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1563-225X","authenticated-orcid":false,"given":"Najeeb","family":"Ur Rehman","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Center, University of Nizwa, P.O. Box 33, Birkat Al Mauz, Nizwa 616, Oman"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Waheed","family":"Murad","sequence":"additional","affiliation":[{"name":"Department of Botany, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0815-5942","authenticated-orcid":false,"given":"Ahmed","family":"Al-Harrasi","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Center, University of Nizwa, P.O. Box 33, Birkat Al Mauz, Nizwa 616, Oman"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2022,2,16]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"357","DOI":"10.1039\/b111150g","article-title":"Natural and hemisynthetic neoclerodane diterpenoids from Scutellaria and their antifeedant activity","volume":"19","author":"Bruno","year":"2002","journal-title":"Nat. Prod. Rep."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"279","DOI":"10.1016\/j.jep.2010.01.006","article-title":"The genus Scutellaria an ethnopharmacological and phytochemical review","volume":"128","author":"Shang","year":"2010","journal-title":"J. Ethnopharmacol."},{"key":"ref_3","doi-asserted-by":"crossref","unstructured":"Shah, M., Murad, W., Ur Rehman, N., Halim, S.A., Ahmed, M., Rehman, H., Zahoor, M., Mubin, S., Khan, A., and Nassan, M.A. (2021). Biomedical applications of Scutellaria edelbergii Rech. f.: In vitro and in vivo approach. Molecules, 26.","DOI":"10.3390\/molecules26123740"},{"key":"ref_4","first-page":"51","article-title":"Potential distribution of endemic Scutellaria chamaedrifolia; Geographic Information System and statistical model approach","volume":"47","author":"Majid","year":"2015","journal-title":"Pak. J. Bot."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1007\/s11655-013-1354-5","article-title":"Phytochemistry, pharmacology and medicinal properties of Carthamus tinctorius L.","volume":"19","author":"Asgarpanah","year":"2013","journal-title":"Chin. J. Integr. Med."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"379850","DOI":"10.1155\/2013\/379850","article-title":"Pinocembrin: A novel natural compound with versatile pharmacological and biological activities","volume":"2013","author":"Rasul","year":"2013","journal-title":"BioMed Res. Int."},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"1145","DOI":"10.1590\/S0102-695X2012005000043","article-title":"A review on phytochemical, ethnomedical and pharmacological studies on genus Sophora, Fabaceae","volume":"22","author":"Krishna","year":"2012","journal-title":"Rev. Bras. Farmacogn."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"517","DOI":"10.1142\/S0192415X08005953","article-title":"Scutellaria baicalensis enhances the anti-diabetic activity of metformin in streptozotocin-induced diabetic Wistar rats","volume":"36","author":"Waisundara","year":"2008","journal-title":"Am. J. Chinese Med."},{"key":"ref_9","doi-asserted-by":"crossref","unstructured":"Salehi, B., Ata, A., V Anil Kumar, N., Sharopov, F., Ram\u00edrez-Alarc\u00f3n, K., Ruiz-Ortega, A., Abdulmajid Ayatollahi, S., Valere Tsouh Fokou, P., Kobarfard, F., and Amiruddin Zakaria, Z. (2019). Antidiabetic potential of medicinal plants and their active components. Biomolecules, 9.","DOI":"10.3390\/biom9100551"},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"406","DOI":"10.1248\/cpb.34.406","article-title":"Studies on the nepese crude drugs. VI.: On the flavonoid constituents of the root of Scutellaria discolor Colebr.(2)","volume":"34","author":"Tomimori","year":"1986","journal-title":"Chem. Pharm. Bull."},{"key":"ref_11","doi-asserted-by":"crossref","unstructured":"De Smet, P. (1993). Scutellaria Species. Adverse Effects of Herbal Drugs 2, Springer.","DOI":"10.1007\/978-3-642-48906-8"},{"key":"ref_12","first-page":"200","article-title":"Studies on the structures of new flavonoids from the root of Scutellaria amoena","volume":"24","author":"Hu","year":"1989","journal-title":"Acta pharm. Sin."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"1047","DOI":"10.1248\/cpb.39.1047","article-title":"Studies on the nepalese crude drugs. XII. On the phenolic compounds from the root of Scutellaria prostrata Jacq. ex Benth","volume":"39","author":"Kikuchi","year":"1991","journal-title":"Chem. Pharm. Bull."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1016\/S0928-3420(99)80040-8","article-title":"New flavonoid glycosides from Scutellaria amoena","volume":"6","author":"Zhou","year":"1999","journal-title":"Plant Sci. J."},{"key":"ref_15","first-page":"79","article-title":"Characterization of flavonoid components in Scutellaria L. species (Lamiaceae) using finger-printing analysis","volume":"62","author":"Dehkordi","year":"2020","journal-title":"Acta Biol. Crac. Ser. Bot."},{"key":"ref_16","first-page":"579","article-title":"Flavonoids, and their biological secrets","volume":"2","author":"Rashid","year":"2019","journal-title":"Plant and Hum. Health"},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"2642","DOI":"10.1248\/cpb.36.2642","article-title":"Structures of scutellones D and E determined from X-ray diffraction, spectral and chemical evidence. Neoclerodane-type diterpenoids from Scutellaria rivularis WALL","volume":"36","author":"Lin","year":"1988","journal-title":"Chem. Pharm. Bull."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"490","DOI":"10.1016\/j.bse.2007.12.008","article-title":"Chemical constituents of Scutellaria linearis","volume":"5","author":"Hussain","year":"2008","journal-title":"Biochem. Syst. Ecol."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"593","DOI":"10.1016\/S0031-9422(96)00608-5","article-title":"Neo-clerodane insect antifeedants from Scutellaria alpina subsp. javalambrensis","volume":"44","author":"Maria","year":"1997","journal-title":"Phytochemistry"},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"160","DOI":"10.2174\/1381612825666191216124310","article-title":"Scutellaria barbata: A review on chemical constituents, pharmacological activities, and clinical applications","volume":"26","author":"Chen","year":"2020","journal-title":"Curr. Pharm. Des."},{"key":"ref_21","doi-asserted-by":"crossref","unstructured":"Denaro, M., Smeriglio, A., and Trombetta, D. (2021). Antioxidant and anti-inflammatory activity of citrus flavanones mix and its stability after in vitro simulated digestion. Antioxidant, 10.","DOI":"10.3390\/antiox10020140"},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"205","DOI":"10.1016\/S0378-8741(01)00389-0","article-title":"Antiviral Chinese medicinal herbs against respiratory syncytial virus","volume":"79","author":"Ma","year":"2002","journal-title":"J. Ethnopharmacol."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"507","DOI":"10.1055\/s-2006-962795","article-title":"Aurantiamide from the aerial parts of Scutellaria rivularis","volume":"53","author":"Lin","year":"1987","journal-title":"Planta Med."},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"5804","DOI":"10.3390\/molecules18055804","article-title":"Dried root of Rehmannia glutinosa prevents bone loss in ovariectomized rats","volume":"18","author":"Lim","year":"2013","journal-title":"Molecules"},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"17400","DOI":"10.3390\/molecules191117400","article-title":"HPLC-UV-MS profiles of phenolic compounds and antioxidant activity of fruits from three citrus species consumed in Northern Chile","volume":"19","author":"Brito","year":"2014","journal-title":"Molecules"},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1016\/S0031-9422(96)00443-8","article-title":"Flavonoids and phenylethanoids from hairy root cultures of Scutellaria baicalensis","volume":"44","author":"Zhou","year":"1997","journal-title":"Phytochemistry"},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"113612","DOI":"10.1016\/j.molliq.2020.113612","article-title":"Immunoinformatics characterization of SARS-CoV-2 spike glycoprotein for prioritization of epitope based multivalent peptide vaccine","volume":"314","author":"Ismail","year":"2020","journal-title":"J. Mol. Liq."},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"167","DOI":"10.2174\/1573409912666160426120709","article-title":"Current status of computer-aided drug design for type 2 diabetes","volume":"12","author":"Bibi","year":"2016","journal-title":"Curr. Comp. Aided Drug Des."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"284","DOI":"10.3389\/fmolb.2020.577316","article-title":"Rational drug design for Pseudomonas aeruginosa PqsA enzyme: An in silico guided study to block biofilm formation","volume":"7","author":"Shaker","year":"2020","journal-title":"Front. Mol. Biosci."},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"104499","DOI":"10.1016\/j.bioorg.2020.104499","article-title":"Celebrex derivatives: Synthesis, \u03b1-glucosidase inhibition, crystal structures and molecular docking studies","volume":"106","author":"Kausar","year":"2021","journal-title":"Bioorg. Chem."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1186\/s12906-017-1766-4","article-title":"Punica granatum peel extracts: HPLC fractionation and LC-MS analysis to quest compounds having activity against multidrug resistant bacteria","volume":"17","author":"Khan","year":"2017","journal-title":"BMC Complement. Altern. Med."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"2657","DOI":"10.2174\/1389557520666200730161549","article-title":"Virtual screening of natural products database","volume":"21","author":"Barrosb","year":"2021","journal-title":"Mini Rev. Med. Chem."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"1202","DOI":"10.1093\/nar\/gkv951","article-title":"PubChem substance and compound databases","volume":"44","author":"Kim","year":"2016","journal-title":"Nucleic Acids Res."},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"3284","DOI":"10.1021\/ci500467k","article-title":"iLOGP: A simple, robust, and efficient description of n-octanol\/water partition coefficient for drug design using the GB\/SA approach","volume":"54","author":"Daina","year":"2014","journal-title":"J. Chem. Inf. Model."},{"key":"ref_35","doi-asserted-by":"crossref","unstructured":"Dirir, A.M., Daou, M., Yousef, A.F., and Yousef, L.F. (2021). A review of alpha-glucosidase inhibitors from plants as potential candidates for the treatment of type-2 diabetes. Phytochem. Rev., 1\u201331.","DOI":"10.1007\/s11101-021-09773-1"},{"key":"ref_36","first-page":"1","article-title":"Structure of human lysosomal acid \u03b1-glucosidase\u2013a guide for the treatment of Pompe disease","volume":"8","author":"Iacono","year":"2017","journal-title":"Nat. Comm."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"1555","DOI":"10.2174\/156802608786786624","article-title":"Medicinal chemistry, and the molecular operating environment (MOE): Application of QSAR and molecular docking to drug discovery","volume":"8","author":"Vilar","year":"2008","journal-title":"Curr. Top. Med. Chem."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"341","DOI":"10.1007\/s10989-020-10090-y","article-title":"In Silico Evaluation of Food Derived Bioactive Peptides as Inhibitors of Angiotensin Converting Enzyme (ACE)","volume":"27","author":"Yousafi","year":"2021","journal-title":"Int. J. Pept. Res. Ther."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"207","DOI":"10.1039\/C5SC02678D","article-title":"Accurate calculation of the absolute free energy of binding for drug molecules","volume":"7","author":"Aldeghi","year":"2016","journal-title":"Chem. Sci."},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.ejps.2019.02.023","article-title":"Combating tigecycline resistant Acinetobacter baumannii: A leap forward towards multi-epitope-based vaccine discovery","volume":"132","author":"Ahmad","year":"2019","journal-title":"Eur. J. Pharm. Sci."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"5595","DOI":"10.1021\/acs.jcim.0c00613","article-title":"Alchemical binding free energy calculations in AMBER20: Advances and best practices for drug discovery","volume":"60","author":"Lee","year":"2020","journal-title":"J. Chem. Inf. Model."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"3969","DOI":"10.1021\/acs.jctc.5b00444","article-title":"Improved force field parameters lead to a better description of RNA structure","volume":"11","author":"Bergonzo","year":"2015","journal-title":"J. Chem. Theory Comput."},{"key":"ref_43","first-page":"166","article-title":"Molecular docking studies for discovery of plant-derived a-glucosidase inhibitors","volume":"7","author":"Hyun","year":"2014","journal-title":"Plant Omics"},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"2090","DOI":"10.1063\/1.1332996","article-title":"Langevin stabilization of molecular dynamics","volume":"114","author":"Izaguirre","year":"2001","journal-title":"J. Chem. Phys."},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"501","DOI":"10.1002\/1096-987X(20010415)22:5<501::AID-JCC1021>3.0.CO;2-V","article-title":"A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations","volume":"22","year":"2001","journal-title":"J. Comput. Chem."},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"3084","DOI":"10.1021\/ct400341p","article-title":"Ptraj and Cpptraj: Software for processing and analysis of molecular dynamics trajectory data","volume":"9","author":"Roe","year":"2013","journal-title":"J. Chem. Theory Comput."},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/0263-7855(96)00018-5","article-title":"VMD: Visual molecular dynamics","volume":"14","author":"Humphrey","year":"1996","journal-title":"J. Mol. Grap."},{"key":"ref_48","doi-asserted-by":"crossref","first-page":"3314","DOI":"10.1021\/ct300418h","article-title":"MMPBSA. py: An efficient program for end-state free energy calculations","volume":"8","author":"Swails","year":"2012","journal-title":"J. Chem. Theory Comput."},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"273","DOI":"10.2174\/1573406416666191219143232","article-title":"Molecular Docking Studies Reveal Rhein from rhubarb (Rheum rhabarbarum) as a Putative Inhibitor of ATP-binding Cassette Super-family G member 2","volume":"17","author":"Khan","year":"2021","journal-title":"Med. Chem."},{"key":"ref_50","doi-asserted-by":"crossref","first-page":"8849568","DOI":"10.1155\/2021\/8849568","article-title":"Synthesis and Biological Screening of New 4-Hydroxycoumarin Derivatives and Their Palladium (II) Complexes","volume":"2021","author":"Saso","year":"2021","journal-title":"Oxid. Med. Cell. Longev."},{"key":"ref_51","doi-asserted-by":"crossref","first-page":"460","DOI":"10.1021\/ci500588j","article-title":"Data Warrior: An open-source program for chemistry aware data visualization and analysis","volume":"55","author":"Sander","year":"2015","journal-title":"J. Chem. Inf. Model."},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"132366","DOI":"10.1016\/j.molstruc.2022.132366","article-title":"Synthesis, characterization and investigating the binding mechanism of novel coumarin derivatives with human serum albumin: Spectroscopic and computational approach","volume":"1254","author":"Roca","year":"2022","journal-title":"J. Mol. Struct."}],"container-title":["Molecules"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1420-3049\/27\/4\/1322\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T22:20:28Z","timestamp":1760134828000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1420-3049\/27\/4\/1322"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,2,16]]},"references-count":52,"journal-issue":{"issue":"4","published-online":{"date-parts":[[2022,2]]}},"alternative-id":["molecules27041322"],"URL":"https:\/\/doi.org\/10.3390\/molecules27041322","relation":{},"ISSN":["1420-3049"],"issn-type":[{"value":"1420-3049","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,2,16]]}}}