{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,4]],"date-time":"2026-07-04T11:17:52Z","timestamp":1783163872886,"version":"3.54.6"},"reference-count":57,"publisher":"Springer Science and Business Media LLC","issue":"4","license":[{"start":{"date-parts":[[2026,2,25]],"date-time":"2026-02-25T00:00:00Z","timestamp":1771977600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2026,2,25]],"date-time":"2026-02-25T00:00:00Z","timestamp":1771977600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"funder":[{"DOI":"10.13039\/100009392","name":"Prince Sattam bin Abdulaziz University","doi-asserted-by":"publisher","award":["PSAU\/2025\/03\/33451"],"award-info":[{"award-number":["PSAU\/2025\/03\/33451"]}],"id":[{"id":"10.13039\/100009392","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Mol Divers"],"DOI":"10.1007\/s11030-026-11493-7","type":"journal-article","created":{"date-parts":[[2026,2,25]],"date-time":"2026-02-25T11:42:35Z","timestamp":1772019755000},"page":"6039-6063","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Integrative computational and experimental identification of marine bacterial acetylcholinesterase inhibitors against alzheimer\u2019s disease"],"prefix":"10.1007","volume":"30","author":[{"given":"Mohammed H.","family":"Alqarni","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Talha","family":"Jawaid","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Saif","family":"Ahmed","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Aftab","family":"Alam","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2026,2,25]]},"reference":[{"key":"11493_CR1","doi-asserted-by":"publisher","first-page":"332","DOI":"10.1002\/alz.70235","volume":"11","author":"Alzheimer\u2019s Association","year":"2015","unstructured":"Alzheimer\u2019s Association (2015) Alzheimer\u2019s disease facts and figures. Alzheimers Dement 11:332\u2013384. https:\/\/doi.org\/10.1002\/alz.70235","journal-title":"Alzheimers Dement"},{"key":"11493_CR2","doi-asserted-by":"publisher","first-page":"321","DOI":"10.1016\/j.jalz.2019.01.010","volume":"15","author":"Alzheimer\u2019s Association","year":"2019","unstructured":"Alzheimer\u2019s Association (2019) Alzheimer\u2019s disease facts and figures. Alzheimers Dement 15:321\u2013387. https:\/\/doi.org\/10.1016\/j.jalz.2019.01.010","journal-title":"Alzheimers Dement"},{"key":"11493_CR3","doi-asserted-by":"publisher","first-page":"5481","DOI":"10.1038\/s41380-021-01249-0","volume":"26","author":"H Hampel","year":"2021","unstructured":"Hampel H, Hardy J, Blennow K, Chen C, Perry G, Kim SH, Villemagne VL, Aisen P, Vendruscolo M, Iwatsubo T, Masters CL, Cho M, Lannfelt L, Cummings J, Vergallo A (2021) The amyloid-\u03b2 pathway in Alzheimer\u2019s disease. Mol Psychiatry 26:5481\u20135503. https:\/\/doi.org\/10.1038\/s41380-021-01249-0","journal-title":"Mol Psychiatry"},{"key":"11493_CR4","first-page":"1","volume":"1","author":"HF Fayek","year":"2025","unstructured":"Fayek HF, Moftah HK, Moussa MHA, El-Morshedy H, Mohamed H, El-Mokadem K (2025) Acetylcholine esterase inhibition in Alzheimer\u2019s therapy: spotlight on quinzolinone derivatives. Transl Health Sci 1:1\u201324","journal-title":"Transl Health Sci"},{"key":"11493_CR5","doi-asserted-by":"publisher","first-page":"1917","DOI":"10.1093\/brain\/awy132","volume":"141","author":"H Hampel","year":"2018","unstructured":"Hampel H, Mesulam MM, Cuello AC, Khachaturian AS, Grossberg GT, Iqbal K, Farlow MR, Snyder PJ, Heneka MT, Aisen PS, de la Torre JC, Butler T, M\u00f6ller H-J, Winblad B (2018) The cholinergic system in the pathophysiology and treatment of Alzheimer\u2019s disease. Brain 141:1917\u20131933. https:\/\/doi.org\/10.1093\/brain\/awy132","journal-title":"Brain"},{"key":"11493_CR6","doi-asserted-by":"publisher","first-page":"101","DOI":"10.2174\/1570159x13666150716165726","volume":"14","author":"TH Ferreira-Vieira","year":"2016","unstructured":"Ferreira-Vieira TH, Guimaraes IM, Silva FR, Ribeiro FM (2016) Alzheimer\u2019s disease: targeting the cholinergic system. Curr Neuropharmacol 14:101\u2013115. https:\/\/doi.org\/10.2174\/1570159x13666150716165726","journal-title":"Curr Neuropharmacol"},{"key":"11493_CR7","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmcr.2024.100154","volume":"11","author":"K Gajendra","year":"2024","unstructured":"Gajendra K, Pratap GK, Poornima DV, Raghavendra B, Swathi K, Manjunath H (2024) Natural acetylcholinesterase inhibitors: a multi-targeted therapeutic potential in Alzheimer\u2019s disease. Eur J Med Chem Rep 11:100154. https:\/\/doi.org\/10.1016\/j.ejmcr.2024.100154","journal-title":"Eur J Med Chem Rep"},{"key":"11493_CR8","doi-asserted-by":"publisher","first-page":"495","DOI":"10.1097\/JCMA.0000000000001252","volume":"88","author":"CK Wu","year":"2025","unstructured":"Wu CK, Fuh JL (2025) A 2025 update on treatment strategies for the Alzheimer\u2019s disease spectrum. J Chin Med Assoc 88:495\u2013502. https:\/\/doi.org\/10.1097\/JCMA.0000000000001252","journal-title":"J Chin Med Assoc"},{"key":"11493_CR9","doi-asserted-by":"publisher","unstructured":"9. Gurud MJT (2024) Lecanemab: a novel therapeutic approach for Alzheimer\u2019s disease. Zenodo. https:\/\/doi.org\/10.5281\/ZENODO.14235128","DOI":"10.5281\/ZENODO.14235128"},{"key":"11493_CR10","first-page":"22","volume":"45","author":"W Elliott","year":"2023","unstructured":"Elliott W, Chan J (2023) Lecanemab-irmb injection (Leqembi). Intern Med Alert 45:22\u201323","journal-title":"Intern Med Alert"},{"key":"11493_CR11","doi-asserted-by":"publisher","first-page":"402","DOI":"10.1016\/j.jconrel.2024.01.047","volume":"367","author":"B Singh","year":"2024","unstructured":"Singh B, Day CM, Abdella S, Garg S (2024) Alzheimer\u2019s disease current therapies, novel drug delivery systems and future directions for better disease management. J Control Release 367:402\u2013424. https:\/\/doi.org\/10.1016\/j.jconrel.2024.01.047","journal-title":"J Control Release"},{"key":"11493_CR12","doi-asserted-by":"publisher","first-page":"803","DOI":"10.1038\/nrn2229","volume":"8","author":"SA Lipton","year":"2007","unstructured":"Lipton SA (2007) Pathologically activated therapeutics for neuroprotection. Nat Rev Neurosci 8:803\u2013808. https:\/\/doi.org\/10.1038\/nrn2229","journal-title":"Nat Rev Neurosci"},{"key":"11493_CR13","doi-asserted-by":"publisher","first-page":"11246","DOI":"10.1523\/JNEUROSCI.2488-10.2010","volume":"30","author":"P Xia","year":"2010","unstructured":"Xia P, Chen HV, Zhang D, Lipton SA (2010) Memantine preferentially blocks extrasynaptic over synaptic NMDA receptor currents in hippocampal autapses. J Neurosci 30:11246\u201311250. https:\/\/doi.org\/10.1523\/JNEUROSCI.2488-10.2010","journal-title":"J Neurosci"},{"key":"11493_CR14","doi-asserted-by":"publisher","first-page":"699","DOI":"10.1016\/j.neuropharm.2007.07.013","volume":"53","author":"CG Parsons","year":"2007","unstructured":"Parsons CG, St\u00f6ffler A, Danysz W (2007) Memantine: a NMDA receptor antagonist that improves memory by restoration of homeostasis in the glutamatergic system \u2013 too little activation is bad, too much is even worse. Neuropharmacology 53:699\u2013723. https:\/\/doi.org\/10.1016\/j.neuropharm.2007.07.013","journal-title":"Neuropharmacology"},{"key":"11493_CR15","doi-asserted-by":"publisher","first-page":"566","DOI":"10.25259\/JNRP_356_2023","volume":"14","author":"A Varadharajan","year":"2023","unstructured":"Varadharajan A, Davis AD, Ghosh A, Sinha S, Krishnan V (2023) Guidelines for pharmacotherapy in Alzheimer\u2019s disease \u2013 a primer on FDA-approved drugs. J Neurosci Rural Pract 14:566\u2013573. https:\/\/doi.org\/10.25259\/JNRP_356_2023","journal-title":"J Neurosci Rural Pract"},{"key":"11493_CR16","doi-asserted-by":"publisher","DOI":"10.1038\/s41392-024-01911-3","volume":"9","author":"J Zhang","year":"2024","unstructured":"Zhang J, Zhang Y, Wang J, Chen L, Li M, Zhou W, Xu H (2024) Recent advances in Alzheimer\u2019s disease: mechanisms, clinical trials and new drug development strategies. Signal Transduct Target Ther 9:211. https:\/\/doi.org\/10.1038\/s41392-024-01911-3","journal-title":"Signal Transduct Target Ther"},{"key":"11493_CR17","doi-asserted-by":"publisher","first-page":"11057","DOI":"10.1039\/D3RA08333K","volume":"14","author":"AE Abdallah","year":"2024","unstructured":"Abdallah AE (2024) Review on anti-Alzheimer drug development: approaches, challenges and perspectives. RSC Adv 14:11057\u201311088. https:\/\/doi.org\/10.1039\/D3RA08333K","journal-title":"RSC Adv"},{"key":"11493_CR18","doi-asserted-by":"publisher","first-page":"W448","DOI":"10.1093\/nar\/gkv306","volume":"43","author":"CM Labb\u00e9","year":"2015","unstructured":"Labb\u00e9 CM, Rey J, Lagorce D, Vavrusa M, Becot J, Sperandio O, Villoutreix BO, Miteva MA (2015) MTiOpenScreen: a web server for structure-based virtual screening. Nucleic Acids Res 43:W448\u2013W454. https:\/\/doi.org\/10.1093\/nar\/gkv306","journal-title":"Nucleic Acids Res"},{"key":"11493_CR19","doi-asserted-by":"publisher","first-page":"D509","DOI":"10.1093\/nar\/gkaa993","volume":"49","author":"C Lyu","year":"2021","unstructured":"Lyu C, Chen T, Qiang B, Liu N, Wang H, Zhang L, Li W, Qian J, Wang S, Luo H, Li X, Chen H, Zhu F (2021) CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean. Nucleic Acids Res 49:D509\u2013D515. https:\/\/doi.org\/10.1093\/nar\/gkaa993","journal-title":"Nucleic Acids Res"},{"key":"11493_CR20","doi-asserted-by":"publisher","first-page":"297","DOI":"10.1016\/S0969-2126(99)80040-9","volume":"7","author":"G Kryger","year":"1999","unstructured":"Kryger G, Silman I, Sussman JL (1999) Structure of acetylcholinesterase complexed with E2020 (Aricept\u00ae): implications for the design of new anti-Alzheimer drugs. Structure 7:297\u2013307. https:\/\/doi.org\/10.1016\/S0969-2126(99)80040-9","journal-title":"Structure"},{"key":"11493_CR21","doi-asserted-by":"publisher","first-page":"D564","DOI":"10.1093\/nar\/gkae110","volume":"53","author":"SK Burley","year":"2025","unstructured":"Burley SK, Bhatt R, Bhikadiya C, Bi C, Bittrich S, Chen L, Crichlow GV, Christie CH, Dalenberg K, Di Costanzo L, Duarte JM, Feng Z, Ganesan S, Goodsell DS, Hudson BP, Kramer L, Lawson CL, Liang Y, Lowe R, Namkoong H, Peisach E, Persikova I, Randle C, Rose A (2025) Updated resources for exploring experimentally determined PDB structures and computed structure models at the RCSB Protein Data Bank. Nucleic Acids Res 53:D564\u2013D574. https:\/\/doi.org\/10.1093\/nar\/gkae110","journal-title":"Nucleic Acids Res"},{"key":"11493_CR22","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-33","volume":"3","author":"NM O\u2019Boyle","year":"2011","unstructured":"O\u2019Boyle NM, Banck M, James CA, Morley C, Vandermeersch T, Hutchison GR (2011) Open Babel: an open chemical toolbox. J Cheminform 3:33. https:\/\/doi.org\/10.1186\/1758-2946-3-33","journal-title":"J Cheminform"},{"key":"11493_CR23","unstructured":"23. Landrum G (2013) RDKit: a software suite for cheminformatics, computational chemistry, and predictive modeling. RDKit. http:\/\/www.rdkit.org"},{"key":"11493_CR24","doi-asserted-by":"publisher","DOI":"10.26434\/chemrxiv-2024-rdeditor","author":"EJ Bjerrum","year":"2024","unstructured":"Bjerrum EJ, Palunas K, Menke J (2024) Python-based interactive RDKit molecule editing with rdEditor. ChemRxiv. https:\/\/doi.org\/10.26434\/chemrxiv-2024-rdeditor","journal-title":"ChemRxiv"},{"key":"11493_CR25","unstructured":"25. Prokhorenkova L, Gusev G, Vorobev A, Dorogush AV, Gulin A (2018) CatBoost: unbiased boosting with categorical features. Adv Neural Inf Process Syst 31:6638\u20136648."},{"key":"11493_CR26","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1340","volume":"8","author":"Q Sun","year":"2018","unstructured":"Sun Q, Berkelbach TC, Blunt NS, Booth GH, Guo S, Li Z, Liu J, McClain J, Sayfutyarova ER, Sharma S, Wouters S, Chan GK (2018) PySCF: the Python-based simulations of chemistry framework. WIREs Comput Mol Sci 8:e1340. https:\/\/doi.org\/10.1002\/wcms.1340","journal-title":"WIREs Comput Mol Sci"},{"key":"11493_CR27","doi-asserted-by":"publisher","first-page":"499","DOI":"10.1016\/0009-2614(92)85807-6","volume":"197","author":"PM Gill","year":"1992","unstructured":"Gill PM, Johnson BG, Pople JA, Frisch MJ (1992) The performance of the Becke\u2013Lee\u2013Yang\u2013Parr (BLYP) density functional theory with various basis sets. Chem Phys Lett 197:499\u2013505. https:\/\/doi.org\/10.1016\/0009-2614(92)85807-6","journal-title":"Chem Phys Lett"},{"key":"11493_CR28","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202205735","volume":"61","author":"M Bursch","year":"2022","unstructured":"Bursch M, Mewes J-M, Hansen A, Grimme S (2022) Best practice DFT protocols for basic molecular computational chemistry. Angew Chem Int Ed 61:e202205735. https:\/\/doi.org\/10.1002\/anie.202205735","journal-title":"Angew Chem Int Ed"},{"key":"11493_CR29","doi-asserted-by":"publisher","first-page":"455","DOI":"10.1002\/jcc.21334","volume":"31","author":"O Trott","year":"2010","unstructured":"Trott O, Olson AJ (2010) AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J Comput Chem 31:455\u2013461. https:\/\/doi.org\/10.1002\/jcc.21334","journal-title":"J Comput Chem"},{"key":"11493_CR30","doi-asserted-by":"publisher","first-page":"1668","DOI":"10.1002\/jcc.20290","volume":"26","author":"DA Case","year":"2005","unstructured":"Case DA, Cheatham TE, Darden T, Gohlke H, Luo R, Merz KM, Onufriev A, Simmerling C, Wang B, Woods RJ (2005) The Amber biomolecular simulation programs. J Comput Chem 26:1668\u20131688. https:\/\/doi.org\/10.1002\/jcc.20290","journal-title":"J Comput Chem"},{"key":"11493_CR31","doi-asserted-by":"publisher","first-page":"6183","DOI":"10.1021\/acs.jcim.3c00252","volume":"63","author":"DA Case","year":"2023","unstructured":"Case DA, Aktulga HM, Belfon K, Ben-Shalom IY, Berryman JT, Brozell SR, Cerutti DS, Cheatham TE, Cruzeiro VWD, Darden TA, Duke RE, Giambasu GM, Gilson MK, Gohlke H, Goetz AW, Harris R, Izadi S, Izmailov SA, Jin C, Kasavajhala K, Kaymak MC, King E (2023) AmberTools. J Chem Inf Model 63:6183\u20136191. https:\/\/doi.org\/10.1021\/acs.jcim.3c00252","journal-title":"J Chem Inf Model"},{"key":"11493_CR32","doi-asserted-by":"publisher","first-page":"1427","DOI":"10.1007\/s00894-010-0650-7","volume":"16","author":"GA \u00d6zp\u0131nar","year":"2010","unstructured":"\u00d6zp\u0131nar GA, Peukert W, Clark T (2010) An improved generalized AMBER force field (GAFF) for urea. J Mol Model 16:1427\u20131440. https:\/\/doi.org\/10.1007\/s00894-010-0650-7","journal-title":"J Mol Model"},{"key":"11493_CR33","doi-asserted-by":"publisher","first-page":"10269","DOI":"10.1021\/j100142a004","volume":"97","author":"CI Bayly","year":"1993","unstructured":"Bayly CI, Cieplak P, Cornell WD, Kollman PA (1993) A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model. J Phys Chem 97:10269\u201310280. https:\/\/doi.org\/10.1021\/j100142a004","journal-title":"J Phys Chem"},{"key":"11493_CR34","first-page":"82","volume":"40","author":"WL DeLano","year":"2002","unstructured":"DeLano WL (2002) PyMOL: an open-source molecular graphics tool. CCP4 Newsl Protein Crystallogr 40:82\u201392","journal-title":"CCP4 Newsl Protein Crystallogr"},{"key":"11493_CR35","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiolchem.2020.107322","volume":"87","author":"LP Kagami","year":"2020","unstructured":"Kagami LP, das Neves GM, Timmers LFSM, Caceres RA, Ligabue-Braun R (2020) Geo-Measures: a PyMOL plugin for protein structure ensembles analysis. Comput Biol Chem 87:107322. https:\/\/doi.org\/10.1016\/j.compbiolchem.2020.107322","journal-title":"Comput Biol Chem"},{"key":"11493_CR36","doi-asserted-by":"publisher","first-page":"1605","DOI":"10.1002\/jcc.20084","volume":"25","author":"EF Pettersen","year":"2004","unstructured":"Pettersen EF, Goddard TD, Huang CC, Couch GS, Greenblatt DM, Meng EC, Ferrin TE (2004) UCSF chimera\u2014a visualization system for exploratory research and analysis. J Comput Chem 25:1605\u20131612. https:\/\/doi.org\/10.1002\/jcc.20084","journal-title":"J Comput Chem"},{"key":"11493_CR37","doi-asserted-by":"publisher","first-page":"3314","DOI":"10.1021\/ct300418h","volume":"8","author":"BR Miller","year":"2012","unstructured":"Miller BR, McGee TD, Swails JM, Homeyer N, Gohlke H, Roitberg AE (2012) MMPBSA.py: an efficient program for end-state free energy calculations. J Chem Theory Comput 8:3314\u20133321. https:\/\/doi.org\/10.1021\/ct300418h","journal-title":"J Chem Theory Comput"},{"key":"11493_CR38","doi-asserted-by":"publisher","first-page":"216","DOI":"10.1016\/j.cbpc.2013.08.005","volume":"158","author":"JS Rhee","year":"2013","unstructured":"Rhee JS, Kim BM, Jeong CB, Park HG, Leung KM, Lee YM, Lee JS (2013) Effect of pharmaceuticals exposure on acetylcholinesterase (AChE) activity and on the expression of AChE gene in the monogonont rotifer, Brachionus koreanus. Comp Biochem Physiol C Toxicol Pharmacol 158:216\u2013224. https:\/\/doi.org\/10.1016\/j.cbpc.2013.08.005","journal-title":"Comp Biochem Physiol C Toxicol Pharmacol"},{"key":"11493_CR39","doi-asserted-by":"publisher","first-page":"88","DOI":"10.1016\/0006-2952(61)90145-9","volume":"7","author":"GL Ellman","year":"1961","unstructured":"Ellman GL, Courtney KD, Andres VJ, Feather-Stone RM (1961) A new and rapid colorimetric determination of acetylcholinesterase activity. Biochem Pharmacol 7:88\u201395","journal-title":"Biochem Pharmacol"},{"key":"11493_CR40","doi-asserted-by":"publisher","unstructured":"40. Giraldo A, Ruiz D, Caruso M, Garcia A, Medina C (2025) Q2SAR: a quantum multiple kernel learning approach for drug discovery. J Chem Inf Model. https:\/\/doi.org\/10.1021\/acs.jcim.5c01234","DOI":"10.1021\/acs.jcim.5c01234"},{"key":"11493_CR41","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-025-98092-y","volume":"15","author":"MT Islam","year":"2025","unstructured":"Islam MT, Aktaruzzaman M, Barai C, Jahan I, Rahman A (2025) In silico screening of naturally derived dietary compounds as potential butyrylcholinesterase inhibitors for Alzheimer\u2019s disease treatment. Sci Rep 15:17134. https:\/\/doi.org\/10.1038\/s41598-025-98092-y","journal-title":"Sci Rep"},{"key":"11493_CR42","doi-asserted-by":"publisher","DOI":"10.3390\/molecules29030674","volume":"29","author":"V Ahmad","year":"2024","unstructured":"Ahmad V, Alotibi I, Alghamdi AA, Alamri A, Khan A, Khan R (2024) Computational approaches to evaluate the acetylcholinesterase binding interaction with taxifolin for the management of Alzheimer\u2019s disease. Molecules 29:674. https:\/\/doi.org\/10.3390\/molecules29030674","journal-title":"Molecules"},{"key":"11493_CR43","doi-asserted-by":"publisher","first-page":"1844","DOI":"10.1021\/acs.jmedchem.0c01863","volume":"64","author":"Y Zhou","year":"2021","unstructured":"Zhou Y, Fu Y, Yin W, Wang Y, Li Q, Chen Y, Zhao Z, Xu J, Liu H (2021) Kinetics-driven drug design strategy for next-generation acetylcholinesterase inhibitors to clinical candidate. J Med Chem 64:1844\u20131855. https:\/\/doi.org\/10.1021\/acs.jmedchem.0c01863","journal-title":"J Med Chem"},{"key":"11493_CR44","doi-asserted-by":"publisher","first-page":"2211","DOI":"10.1016\/j.apsb.2025.07.038","volume":"15","author":"Q Zhang","year":"2025","unstructured":"Zhang Q, Gong X, Liu H, Yao X (2025) Application of computational methods in the drug discovery and development of Alzheimer\u2019s disease. Acta Pharm Sin B 15:2211\u20132225. https:\/\/doi.org\/10.1016\/j.apsb.2025.07.038","journal-title":"Acta Pharm Sin B"},{"key":"11493_CR45","doi-asserted-by":"publisher","DOI":"10.1007\/s44371-025-00197-w","volume":"2","author":"S Mande","year":"2025","unstructured":"Mande S, Repudi L, Goswami S, Sharma A, Rao P (2025) Computational design and molecular insights into acetylcholinesterase inhibitors from Aristolochia indica for Alzheimer\u2019s disease therapy. Discov Chem 2:126. https:\/\/doi.org\/10.1007\/s44371-025-00197-w","journal-title":"Discov Chem"},{"key":"11493_CR46","doi-asserted-by":"publisher","DOI":"10.3389\/fchem.2025.1614462","volume":"13","author":"M El Fadili","year":"2025","unstructured":"El Fadili M, Ez-Zoubi A, Aloui M, Bensouici C, Belayachi L (2025) Design of novel pyrazole and benzofuran-based derivatives as potent acetylcholinesterase inhibitors for Alzheimer\u2019s disease management. Front Chem 13:1614462. https:\/\/doi.org\/10.3389\/fchem.2025.1614462","journal-title":"Front Chem"},{"key":"11493_CR47","doi-asserted-by":"publisher","DOI":"10.3390\/md21010043","volume":"21","author":"D Hu","year":"2023","unstructured":"Hu D, Jin Y, Hou X, Li F, Wang J, Chen Y (2023) Application of marine natural products against Alzheimer\u2019s disease: past, present and future. Mar Drugs 21:43. https:\/\/doi.org\/10.3390\/md21010043","journal-title":"Mar Drugs"},{"key":"11493_CR48","doi-asserted-by":"publisher","first-page":"12","DOI":"10.1016\/j.ejbt.2024.08.001","volume":"72","author":"KG Olivo-Flores","year":"2024","unstructured":"Olivo-Flores KG, Couttolenc A, Su\u00e1rez-Medell\u00edn J, Zamilpa A, Aguilar-Mariscal H, Gonz\u00e1lez-Cortazar M, Rodr\u00edguez-Luna IC, Mart\u00ednez-Gonz\u00e1lez CL, Campos-Aldrete ME, S\u00e1nchez-Medina A, Rodr\u00edguez-Landa JF (2024) Acetylcholinesterase inhibition exerted by the extract of Daldinia eschscholtzii, a marine fungus associated with the coral Siderastrea siderea: GC\u2013MS analysis and molecular docking of identified compounds. Electron J Biotechnol 72:12\u201319. https:\/\/doi.org\/10.1016\/j.ejbt.2024.08.001","journal-title":"Electron J Biotechnol"},{"key":"11493_CR49","doi-asserted-by":"publisher","DOI":"10.1002\/prp2.70131","volume":"13","author":"MS Hossain","year":"2025","unstructured":"Hossain MS, Hussain MH (2025) Multi-target drug design in Alzheimer\u2019s disease treatment: emerging technologies, advantages, challenges, and limitations. Pharmacol Res Perspect 13:e70131. https:\/\/doi.org\/10.1002\/prp2.70131","journal-title":"Pharmacol Res Perspect"},{"key":"11493_CR50","doi-asserted-by":"publisher","first-page":"231","DOI":"10.1016\/j.sajb.2021.12.013","volume":"147","author":"HM van Wyk","year":"2022","unstructured":"van Wyk HM, Schoeman D, Kwembeya E, Hans RH, Pool EJ, Louw S (2022) In vitro acetylcholinesterase inhibitory activity and chemical composition of the dichloromethane extracts of the leaves and inflorescences of the tumbleweed, Trachyandra laxa (N.E.Br.) Oberm. var. rigida (Suesseng.) Roessl. S Afr J Bot 147:231\u2013237. https:\/\/doi.org\/10.1016\/j.sajb.2021.12.013","journal-title":"S Afr J Bot"},{"key":"11493_CR51","doi-asserted-by":"publisher","DOI":"10.1007\/s40203-024-00189-1","volume":"12","author":"H Kumar","year":"2024","unstructured":"Kumar H, Datusalia AK, Khatik GL (2024) Virtual screening of acetylcholinesterase inhibitors through pharmacophore-based 3D-QSAR modeling, ADMET, molecular docking, and MD simulation studies. In Silico Pharmacol 12:13. https:\/\/doi.org\/10.1007\/s40203-024-00189-1","journal-title":"In Silico Pharmacol"},{"key":"11493_CR52","doi-asserted-by":"publisher","first-page":"2130","DOI":"10.3390\/12092130","volume":"12","author":"M Jung","year":"2007","unstructured":"Jung M, Park M (2007) Acetylcholinesterase inhibition by flavonoids from Agrimonia pilosa. Molecules 12:2130\u20132139","journal-title":"Molecules"},{"key":"11493_CR53","doi-asserted-by":"publisher","first-page":"235","DOI":"10.1016\/j.jep.2009.11.015","volume":"127","author":"OA Fawole","year":"2010","unstructured":"Fawole OA, Amoo SO, Ndhlala AR, Light ME, Finnie JF, Van Staden J (2010) Anti-inflammatory, anticholinesterase, antioxidant and phytochemical properties of medicinal plants used for pain-related ailments in South Africa. J Ethnopharmacol 127:235\u2013241","journal-title":"J Ethnopharmacol"},{"key":"11493_CR54","doi-asserted-by":"publisher","first-page":"2213","DOI":"10.1021\/jf0402633","volume":"53","author":"JA Pino","year":"2005","unstructured":"Pino JA, Mesa J, Mu\u00f1oz Y, Mart\u00ed MP, Marbot R (2005) Volatile components from mango (Mangifera indica L.) cultivars. J Agric Food Chem 53:2213\u20132223","journal-title":"J Agric Food Chem"},{"key":"11493_CR55","doi-asserted-by":"publisher","first-page":"6168","DOI":"10.3390\/molecules15096168","volume":"15","author":"N Radulovic","year":"2010","unstructured":"Radulovic N, Blagojevic P, Palic R (2010) Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae). Molecules 15:6168\u20136185","journal-title":"Molecules"},{"key":"11493_CR56","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-018-33354-6","volume":"8","author":"C Jang","year":"2018","unstructured":"Jang C, Yadav DK, Subedi L et al (2018) Identification of novel acetylcholinesterase inhibitors designed by pharmacophore-based virtual screening, molecular docking and bioassay. Sci Rep 8:14921. https:\/\/doi.org\/10.1038\/s41598-018-33354-6","journal-title":"Sci Rep"},{"key":"11493_CR57","doi-asserted-by":"publisher","DOI":"10.1007\/s40203-022-00133-1","volume":"10","author":"N Lakra","year":"2022","unstructured":"Lakra N, Matore BW, Banjare P, Singh R, Singh J, Roy PP (2022) Pharmacophore-based virtual screening of cholinesterase inhibitors: search of new potential drug candidates as anti-Alzheimer agents. In Silico Pharmacol 10:18. https:\/\/doi.org\/10.1007\/s40203-022-00133-1","journal-title":"In Silico Pharmacol"}],"container-title":["Molecular Diversity"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s11030-026-11493-7.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1007\/s11030-026-11493-7","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s11030-026-11493-7.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,4]],"date-time":"2026-07-04T10:39:29Z","timestamp":1783161569000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/s11030-026-11493-7"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,2,25]]},"references-count":57,"journal-issue":{"issue":"4","published-online":{"date-parts":[[2026,8]]}},"alternative-id":["11493"],"URL":"https:\/\/doi.org\/10.1007\/s11030-026-11493-7","relation":{},"ISSN":["1573-501X"],"issn-type":[{"value":"1573-501X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,2,25]]},"assertion":[{"value":"12 October 2025","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"2 February 2026","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"25 February 2026","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Declarations"}},{"value":"The authors declare no competing interests.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interests"}},{"value":"None.","order":3,"name":"Ethics","group":{"name":"EthicsHeading","label":"Conflict of interest"}}]}}