Soni S, Ruhela RK, Medhi B. Nanomedicine in central nervous system (CNS) disorders: a present and future prospective. Adv Pharm Bull. 2016;6:319–35.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Hebert LE, Weuve J, Scherr PA, Evans DA. Alzheimer disease in the United States (2010–50) estimated using the 2010 census. Neurology. 2013;80:1778–83.

Article  PubMed  PubMed Central  Google Scholar 

Unzeta M, Esteban G, Bolea I, Fogel WA, Ramsay RR, Youdim MB et al. Multi-target directed donepezil-like ligands for Alzheimer’s disease. Front Neurosci. 2016;10:205.

Article  PubMed  PubMed Central  Google Scholar 

Yiannopoulou KG, Papageorgiou SG. Current and future treatments in Alzheimer disease: an update. J Cent Nerv Syst Dis. 2020;12:1179573520907397.

Article  PubMed  PubMed Central  Google Scholar 

Francis PT, Palmer AM, Snape M, Wilcock GK. The cholinergic hypothesis of Alzheimer’s disease: a review of progress. J Neurol Neurosurg Psychiatry. 1999;66:137–47.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Ballard CG, Greig NH, Guillozet-Bongaarts AL, Enz A, Darvesh S. Cholinesterases: roles in the brain during health and disease. Curr Alzheimer Res. 2005;2:307–18.

Article  CAS  PubMed  Google Scholar 

Li Q, He S, Chen Y, Feng F, Qu W, Sun H. Donepezil-based multi-functional cholinesterase inhibitors for treatment of Alzheimer’s disease. Eur J Med Chem. 2018;158:463–77.

Article  CAS  PubMed  Google Scholar 

Turkan F, Cetin A, Taslimi P, Karaman M, Gulçin İ. Synthesis, biological evaluation and molecular docking of novel pyrazole derivatives as potent carbonic anhydrase and acetylcholinesterase inhibitors. Bioorg Chem. 2019;86:420–7.

Article  CAS  PubMed  Google Scholar 

Kucukoglu K, Gul HI, Taslimi P, Gulcin I, Supuran CT. Investigation of inhibitory properties of some hydrazone compounds on hCA I, hCA II and AChE enzymes. Bioorg Chem. 2019;86:316–21.

Article  CAS  PubMed  Google Scholar 

Li Q, Yang H, Chen Y, Sun H. Recent progress in the identification of selective butyrylcholinesterase inhibitors for Alzheimer’s disease. Eur J Med Chem. 2017;132:294–309.

Article  CAS  PubMed  Google Scholar 

Masson P, Lockridge O. Butyrylcholinesterase for protection from organophosphorus poisons: catalytic complexities and hysteretic behavior. Arch Biochem Biophys. 2010;494:107–20.

Article  CAS  PubMed  Google Scholar 

Su CY, Ming QL, Rahman K, Han T, Qin LP. Salvia miltiorrhiza: traditional medicinal uses, chemistry, and pharmacology. Chin J Nat Med. 2015;13:163–82.

CAS  PubMed  Google Scholar 

Nah S-Y. Ginseng ginsenoside pharmacology in the nervous system: involvement in the regulation of ion channels and receptors. Front Physiol. 2014;5:98.

Article  PubMed  PubMed Central  Google Scholar 

Kim HJ, Kim P, Shin CY. A comprehensive review of the therapeutic and pharmacological effects of ginseng and ginseno-sides in central nervous system. J Ginseng Res. 2013;37:8–29.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Tao YH. Recent progress on pharmacological effects of Gastrodia elata. Zhongguo Zhong Yao Za Zh. 2008;33:108–10.

Google Scholar 

Huang C, Zheng C, Li Y, Wang Y, Lu A, Yang L. Systems pharmacology in drug discovery and therapeutic insight for herbal medicines. Brief Bioinform. 2014;15:710–33.

Article  PubMed  Google Scholar 

Bagherian M, Sabeti E, Wang K, Sartor MA, Nikolovska-Coleska Z, Najarian K. Machine learning approaches and databases for prediction of drug–target interaction: a survey paper. Brief Bioinforma. 2021;22:247–69.

Article  Google Scholar 

Zhavoronkov A, Ivanenkov YA, Aliper A, Veselov MS, Aladinskiy VA, Aladinskaya AV et al. Deep learning enables rapid identification of potent DDR1 kinase inhibitors. Nat Biotechnol. 2019;37:1038–40.

Article  CAS  PubMed  Google Scholar 

Paul D, Sanap G, Shenoy S, Kalyane D, Kalia K, Tekade RK. Artificial intelligence in drug discovery and development. Drug Discov today. 2021;26:80–93.

Article  CAS  PubMed  Google Scholar 

Dalkıran A, Atakan A, Rifaioğlu AS, Martin MJ, Atalay RÇ, Acar AC et al. Transfer learning for drug–target interaction prediction. Bioinformatics. 2023;39:i103–i110.

Article  PubMed  PubMed Central  Google Scholar 

Arvindhan M, Daniel A, Partheeban N, Balusamy B. Artificial intelligence representation model for drug–target interaction with contemporary knowledge and development, in Deep Learning in Personalized Healthcare and Decision Support. 2023, Elsevier. p. 81–93.

Yoo S, Kim J, Choi GJ. Drug properties prediction based on deep learning. Pharmaceutics. 2022;14:467.

Article  PubMed  PubMed Central  Google Scholar 

Li Z, Jiang M, Wang S, Zhang S. Deep learning methods for molecular representation and property prediction. Drug Discov Today. 2022;27:103373.

Article  PubMed  Google Scholar 

Xu J. Evolving Drug Design Methodology: from QSAR to AIDD. ChemRxiv. 2022; https://doi.org/10.26434/chemrxiv-2022-9fwmg.

Chan HCS, Shan H, Dahoun T, Vogel H, Yuan S. Advancing drug discovery via artificial intelligence. Trends Pharmacol Sci. 2019;40:592–604.

Article  CAS  PubMed  Google Scholar 

Vijayan R, Kihlberg J, Cross JB, Poongavanam V. Enhancing preclinical drug discovery with artificial intelligence. Drug Discov Today. 2022;27:967–84.

Article  CAS  PubMed  Google Scholar 

Landrum G. RDKit: a software suite for cheminformatics, computational chemistry, and predictive modeling. Greg Landrum. 2013;8:31.

Google Scholar 

Yao L, Mao C, Luo Y. Graph convolutional networks for text classification. Proc AAAI Conf Artif Intell. 2019;33:7370–7.

Google Scholar 

Elnaggar A, Heinzinger M, Dallago C, Rehawi G, Wang Y, Jones L et al. Prottrans: toward understanding the language of life through self-supervised learning. IEEE Trans Pattern Anal Mach Intell. 2021;44:7112–27.

Article  Google Scholar 

Srivastava N, et al. Dropout: a simple way to prevent neural networks from overfitting. J Mach Learn Res. 2014;15:1929–58.

Google Scholar 

Qiao Y, Deng H, Liu L, Liu S, Ren L, Shi C et al. Highly accessible computational prediction and in vivo/in vitro experimental validation: novel synthetic phenyl ketone derivatives as promising agents against NAFLD via modulating oxidoreductase activity. Oxid Med Cell Longev. 2023;2023:3782230.

Article  PubMed  PubMed Central  Google Scholar 

Dong M, Vattelana AM, Lam PC, Orry AJ, Abagyan R, Christopoulos A et al. Development of a highly selective allosteric antagonist radioligand for the type 1 cholecystokinin receptor and elucidation of its molecular basis of binding. Mol Pharmacol. 2015;87:130–40.

Article  PubMed  PubMed Central  Google Scholar 

Zhao X, Tan X, Shi H, Xia D. Nutrition and traditional Chinese medicine (TCM): a system’s theoretical perspective. Eur J Clin Nutr. 2021;75:267–73.

Article  PubMed  Google Scholar 

Wang P, Cao Y, Yu J, Liu R, Bai B, Qi H et al. Baicalin alleviates ischemia-induced memory impairment by inhibiting the phosphorylation of CaMKII in hippo-campus. Brain Res. 2016;1642:95–103.

Article  CAS  PubMed  Google Scholar 

Lin L, Jadoon SS, Liu SZ, Zhang RY, Li F, Zhang MY et al. Tanshinone IIA ameliorates spatial learning and memory deficits by inhibiting the activity of ERK and GSK-3β. J Geriatr Psychiatry Neurol. 2019;32:152–63.

Article  PubMed  Google Schol