{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,23]],"date-time":"2026-06-23T10:50:47Z","timestamp":1782211847425,"version":"3.54.5"},"reference-count":44,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[2026,6,23]],"date-time":"2026-06-23T00:00:00Z","timestamp":1782172800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2026,6,23]],"date-time":"2026-06-23T00:00:00Z","timestamp":1782172800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["J Comput Aided Mol Des"],"DOI":"10.1007\/s10822-026-00845-y","type":"journal-article","created":{"date-parts":[[2026,6,23]],"date-time":"2026-06-23T10:35:28Z","timestamp":1782210928000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Computer-aided design, molecular dynamics simulations and in-vitro inhibitory potential of piperazine bridged bis-thiadiazole benzothioate derivatives against platelet-derived endothelial cell growth factor"],"prefix":"10.1007","volume":"40","author":[{"given":"Mujeeb Ul","family":"Naeem","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Filza","family":"Khursheed","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Samina","family":"Aslam","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yousaf","family":"Khan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Waqar","family":"Ishaq","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Muhammad","family":"Akif","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abdul","family":"Sattar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Muhammad","family":"Faheem","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohammed B.","family":"Hawsawi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wajid","family":"Rehman","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2026,6,23]]},"reference":[{"issue":"4","key":"845_CR1","doi-asserted-by":"publisher","first-page":"1141","DOI":"10.1002\/jhet.3491","volume":"56","author":"N Kaur","year":"2019","unstructured":"Kaur N (2019) Synthesis of three-membered and four-membered heterocycles with the assistance of photochemical reactions. J Heterocycl Chem 56(4):1141\u20131167","journal-title":"J Heterocycl Chem"},{"issue":"5","key":"845_CR2","doi-asserted-by":"publisher","first-page":"536","DOI":"10.2174\/1389557520666201027160436","volume":"21","author":"P Shiri","year":"2021","unstructured":"Shiri P (2021) Novel hybrid molecules based on triazole-\u03b2-lactam as potential biological agents. Mini Rev Med Chem 21(5):536\u2013553","journal-title":"Mini Rev Med Chem"},{"key":"845_CR3","doi-asserted-by":"publisher","DOI":"10.1007\/s10637-026-01596-1","author":"J Liu","year":"2026","unstructured":"Liu J, Sun W, Wang C (2026) Clinical features, treatment and outcomes of pembrolizumab induced autoimmune hemolytic anemia. Invest New Drugs. https:\/\/doi.org\/10.1007\/s10637-026-01596-1","journal-title":"Invest New Drugs"},{"issue":"25","key":"845_CR4","doi-asserted-by":"publisher","first-page":"22968","DOI":"10.1021\/acsnano.5c02492","volume":"19","author":"J Zeng","year":"2025","unstructured":"Zeng J, Zhang Y, Gao Y, Jia M, Guo Y, Li X, Wang Y, Zhao C, Qiu J, McGinty S, Miao W, Wang G, Wang Y (2025) Biomimetic ginsenoside Rb1 and probucol co-assembled nanoparticles for targeted atherosclerosis therapy via inhibition of oxidative stress, inflammation, and lipid deposition. ACS Nano 19(25):22968\u201322987","journal-title":"ACS Nano"},{"issue":"3","key":"845_CR5","doi-asserted-by":"publisher","first-page":"653","DOI":"10.1016\/j.cell.2024.12.001","volume":"188","author":"X Wen","year":"2025","unstructured":"Wen X, Shang P, Chen H, Guo L, Rong N, Jiang X, Li X, Liu J, Yang G, Zhang J, Zhu K, Meng Q, He X, Wang Z, Liu Z, Cheng H, Zheng Y, Zhang B, Pang J, Liu Z, Xiao P, Chen Y, Liu L, Luo F, Yu X, Yi F, Zhang P, Yang F, Deng C, Sun J (2025) Evolutionary study and structural basis of proton sensing by Mus GPR4 and Xenopus GPR4. Cell 188(3):653\u2013670","journal-title":"Cell"},{"issue":"1","key":"845_CR6","doi-asserted-by":"publisher","first-page":"BST20253113","DOI":"10.1042\/BST20253113","volume":"54","author":"M Alberti","year":"2026","unstructured":"Alberti M, Miggiano R (2026) Targeting opportunities presented by the pyrimidine biosynthesis pathway in Mycobacterium tuberculosis: a brief review. Biochem Soc Trans 54(1):BST20253113","journal-title":"Biochem Soc Trans"},{"issue":"8","key":"845_CR7","doi-asserted-by":"publisher","first-page":"1658","DOI":"10.1016\/j.molcel.2025.03.018","volume":"85","author":"L Guo","year":"2025","unstructured":"Guo L, Zhu K, Zhong YN, Gao M, Liu J, Qi Z, Liu Z, Rong N, Zhang M, Li D, Zhang Q, Yang G, Zhang X, Zhang M, Ding N, Ping YQ, Yang Z, Xiao P, Xia M, Yu X, Gaole A, Sun J, Yang F (2025) Structural basis and biased signaling of proton sensation by GPCRs mediated by extracellular histidine rearrangement. Mol Cell 85(8):1658-1673.e7","journal-title":"Mol Cell"},{"key":"845_CR8","doi-asserted-by":"publisher","DOI":"10.1007\/s00210-025-04879-1","author":"Y Khan","year":"2026","unstructured":"Khan Y, Sarfraz H, Naseem M, Adnan R, Naqvi SF, Khan A, Gulshan U, Aminullah S (2026) Design, synthesis and biological profiling of bis-thiazole linked Schiff bases as effective enzyme inhibitors for targeting urease and thymidine phosphorylase proteins. Naunyn Schmiedebergs Arch Pharmacol. https:\/\/doi.org\/10.1007\/s00210-025-04879-1","journal-title":"Naunyn Schmiedebergs Arch Pharmacol"},{"issue":"8","key":"845_CR9","doi-asserted-by":"publisher","first-page":"809","DOI":"10.1161\/CIRCRESAHA.124.325645","volume":"136","author":"W Liu","year":"2025","unstructured":"Liu W, Li G, Shi J, Gao Y, Fang P, Zhao Y, Zhong F, Guo X, Lyu Y, Da X, Li Z, Fa J, Hu L, Yuan A, Chen L, Liu J, Chen AF, Sheng B, Ji Y, Lu X, Pu J (2025) NR4A1 acts as a novel regulator of platelet activation and thrombus formation. Circ Res 136(8):809\u2013826","journal-title":"Circ Res"},{"key":"845_CR10","doi-asserted-by":"publisher","first-page":"1034205","DOI":"10.3389\/fonc.2023.1034205","volume":"13","author":"L Singh","year":"2023","unstructured":"Singh L, Nair L, Kumar D, Arora MK, Bajaj S, Gadewar M, Singh M (2023) Hypoxia induced lactate acidosis modulates tumor microenvironment and lipid reprogramming to sustain the cancer cell survival. Front Oncol 13:1034205","journal-title":"Front Oncol"},{"issue":"1","key":"845_CR11","doi-asserted-by":"publisher","first-page":"323","DOI":"10.1007\/s10753-023-01911-5","volume":"47","author":"J Wang","year":"2024","unstructured":"Wang J, Luo J, Rotili D, Mai A, Steegborn C, Xu S, Jin ZG (2024) SIRT6 protects against Lipopolysaccharide-induced inflammation in human pulmonary lung microvascular endothelial cells. Inflammation 47(1):323\u2013332","journal-title":"Inflammation"},{"issue":"7","key":"845_CR12","doi-asserted-by":"publisher","first-page":"559","DOI":"10.1080\/07357907.2024.2361295","volume":"42","author":"FH Al-Ostoot","year":"2024","unstructured":"Al-Ostoot FH, Salah S, Khanum SA (2024) An overview of cancer biology, pathophysiological development and it\u2019s treatment modalities: current challenges of cancer anti-angiogenic therapy. Cancer Invest 42(7):559\u2013604","journal-title":"Cancer Invest"},{"issue":"1","key":"845_CR13","first-page":"86","volume":"54","author":"J Zhao","year":"2025","unstructured":"Zhao J, Bai X, Du J, Chen Y, Guo X, Zhang J, Gao L (2025) Tryptophan metabolism: from physiological functions to key roles and therapeutic targets in cancer. Oncol Reports 54(1):86","journal-title":"Oncol Reports"},{"issue":"1","key":"845_CR14","doi-asserted-by":"publisher","first-page":"95","DOI":"10.1007\/s15010-024-02324-8","volume":"53","author":"HH Zhuang","year":"2025","unstructured":"Zhuang HH, Qu Q, Long WM, Hu Q, Wu XL, Chen Y, Wan Q, Xu TT, Luo Y, Yuan HY, Lu Q, Qu J (2025) Ceftazidime\/avibactam versus polymyxin B in carbapenem-resistant Klebsiella pneumoniae infections: a propensity score-matched multicenter real-world study. Infection 53(1):95\u2013106","journal-title":"Infection"},{"issue":"1","key":"845_CR15","doi-asserted-by":"publisher","first-page":"241","DOI":"10.1186\/s12943-024-02164-y","volume":"23","author":"J Yan","year":"2024","unstructured":"Yan J, Chen D, Ye Z, Zhu X, Li X, Jiao H, Duan M, Zhang C, Cheng J, Xu L, Li H, Yan D (2024) Molecular mechanisms and therapeutic significance of Tryptophan metabolism and signaling in cancer. Mol Cancer 23(1):241","journal-title":"Mol Cancer"},{"key":"845_CR16","doi-asserted-by":"publisher","first-page":"240","DOI":"10.1016\/j.molstruc.2019.02.071","volume":"1185","author":"W Xie","year":"2019","unstructured":"Xie W, Liu Z, Fang D, Wu W, Ma S, Tan S, Zheng K (2019) 3D-QSAR and molecular docking studies of aminopyrimidine derivatives as novel three-targeted Lck\/Src\/KDR inhibitors. J Mol Struct 1185:240\u2013258","journal-title":"J Mol Struct"},{"issue":"1","key":"845_CR17","doi-asserted-by":"publisher","first-page":"20002","DOI":"10.1038\/s41598-022-16744-9","volume":"12","author":"B Liu","year":"2022","unstructured":"Liu B, Du H, Zhang J, Jiang J, Zhang X, He F, Niu B (2022) Developing a new sepsis screening tool based on lymphocyte count, international normalized ratio and procalcitonin (LIP score). Sci Rep 12(1):20002","journal-title":"Sci Rep"},{"key":"845_CR18","doi-asserted-by":"publisher","first-page":"914347","DOI":"10.3389\/fphar.2022.914347","volume":"13","author":"H Yang","year":"2022","unstructured":"Yang H, He C, Bi Y, Zhu X, Deng D, Ran T, Ji X (2022) Synergistic effect of VEGF and SDF-1\u03b1 in endothelial progenitor cells and vascular smooth muscle cells. Front Pharmacol 13:914347","journal-title":"Front Pharmacol"},{"issue":"9","key":"845_CR19","doi-asserted-by":"publisher","first-page":"e70383","DOI":"10.1002\/mco2.70383","volume":"6","author":"Y Zhang","year":"2025","unstructured":"Zhang Y, Wang N, Zhang L, Zhuang Y, Xin Q, Gu X, Jiang C, Wu J (2025) Serotonin (5-Hydroxytryptamine): metabolism, signaling, biological functions, diseases, and emerging therapeutic opportunities. MedComm 6(9):e70383","journal-title":"MedComm"},{"issue":"10","key":"845_CR20","doi-asserted-by":"publisher","first-page":"1258","DOI":"10.3390\/ph17101258","volume":"17","author":"KN Venugopala","year":"2024","unstructured":"Venugopala KN, Kamat V (2024) Pyrimidines: a new versatile molecule in the drug development field, scope, and future aspects. Pharmaceuticals 17(10):1258","journal-title":"Pharmaceuticals"},{"issue":"1","key":"845_CR21","doi-asserted-by":"publisher","first-page":"27","DOI":"10.1002\/cmdc.201200355","volume":"8","author":"Y Li","year":"2013","unstructured":"Li Y, Geng J, Liu Y, Yu S, Zhao G (2013) Thiadiazole-A promising structure in medicinal chemistry. ChemMedChem 8(1):27\u201341","journal-title":"ChemMedChem"},{"issue":"13","key":"845_CR22","doi-asserted-by":"publisher","first-page":"3723","DOI":"10.1016\/j.bmcl.2013.05.013","volume":"23","author":"ZS Li","year":"2013","unstructured":"Li ZS, Wang WM, Lu W, Niu CW, Li YH, Li ZM, Wang JG (2013) Synthesis and biological evaluation of nonsymmetrical aromatic disulfides as novel inhibitors of acetohydroxyacid synthase. Bioorg Med Chem Lett 23(13):3723\u20133727","journal-title":"Bioorg Med Chem Lett"},{"key":"845_CR23","doi-asserted-by":"publisher","first-page":"100150","DOI":"10.1016\/j.medidd.2022.100150","volume":"17","author":"D Kumar","year":"2023","unstructured":"Kumar D, Kumar H, Kumar V, Deep A, Sharma A, Marwaha MG, Marwaha RK (2023) Mechanism-based approaches of 1, 3, 4 thiadiazole scaffolds as potent enzyme inhibitors for cytotoxicity and antiviral activity. Med Drug Discovery 17:100150","journal-title":"Med Drug Discovery"},{"issue":"11","key":"845_CR24","doi-asserted-by":"publisher","first-page":"1633","DOI":"10.1007\/s10337-019-03794-x","volume":"82","author":"NY Sipkina","year":"2019","unstructured":"Sipkina NY, Polyakova MV, Yakovlev IP (2019) Development and validation of a new HPLC method for quantification of a novel antifungal drug based on 1, 3, 4-thiadiazole and its impurities. Chromatographia 82(11):1633\u20131639","journal-title":"Chromatographia"},{"issue":"10","key":"845_CR25","doi-asserted-by":"publisher","first-page":"5572","DOI":"10.1021\/cr400131u","volume":"114","author":"Y Hu","year":"2014","unstructured":"Hu Y, Li CY, Wang XM, Yang YH, Zhu HL (2014) 1, 3, 4-Thiadiazole: synthesis, reactions, and applications in medicinal, agricultural, and materials chemistry. Chem Rev 114(10):5572\u20135610","journal-title":"Chem Rev"},{"issue":"37","key":"845_CR26","doi-asserted-by":"publisher","first-page":"e202301304","DOI":"10.1002\/slct.202301304","volume":"8","author":"AR Zala","year":"2023","unstructured":"Zala AR, Kumari P (2023) Versatile therapeutic values of N\u2010containing heterocycles benzimidazole, piperazine and piperidine hybrids. ChemistrySelect 8(37):e202301304","journal-title":"ChemistrySelect"},{"issue":"4","key":"845_CR27","doi-asserted-by":"publisher","first-page":"368","DOI":"10.1124\/mol.117.110650","volume":"93","author":"M Bao","year":"2018","unstructured":"Bao M, Li G, Huang X, Tang L, Dong L, Li J (2018) Long noncoding RNA LINC00657 acting as a miR-590-3p sponge to facilitate low concentration oxidized low-density lipoprotein-induced angiogenesis. Mol Pharmacol 93(4):368\u2013375","journal-title":"Mol Pharmacol"},{"issue":"12","key":"845_CR28","doi-asserted-by":"publisher","first-page":"2622","DOI":"10.1039\/D1OB00145K","volume":"19","author":"KN Singh","year":"2021","unstructured":"Singh KN (2021) Metal-free multicomponent reactions: a benign access to monocyclic six-membered N-heterocycles. Org Biomol Chem 19(12):2622\u20132657","journal-title":"Org Biomol Chem"},{"issue":"9","key":"845_CR29","doi-asserted-by":"publisher","first-page":"969","DOI":"10.1080\/17460441.2022.2103535","volume":"17","author":"MN Romanelli","year":"2022","unstructured":"Romanelli MN, Manetti D, Braconi L, Dei S, Gabellini A, Teodori E (2022) The piperazine scaffold for novel drug discovery efforts: the evidence to date. Expert Opin Drug Discov 17(9):969\u2013984","journal-title":"Expert Opin Drug Discov"},{"issue":"17","key":"845_CR30","doi-asserted-by":"publisher","first-page":"2802","DOI":"10.1055\/a-2508-9961","volume":"36","author":"KK Goel","year":"2025","unstructured":"Goel KK, Singhal P, Marianesan AB, Pandey SK, Kumar R, Singh TG, Dwivedi AR (2025) A decade of piperazine-based small molecules approved by US FDA: exploring the medicinal chemistry impact of this versatile pharmacophore. Synlett 36(17):2802\u20132818","journal-title":"Synlett"},{"issue":"1","key":"845_CR31","doi-asserted-by":"publisher","first-page":"29","DOI":"10.1007\/s11094-022-02597-z","volume":"56","author":"M Al-Ghorbani","year":"2022","unstructured":"Al-Ghorbani M, Gouda MA, Baashen M, Alharbi O, Almalki FA, Ranganatha LV (2022) Piperazine heterocycles as potential anticancer agents: a review. Pharm Chem J 56(1):29\u201337","journal-title":"Pharm Chem J"},{"issue":"1","key":"845_CR32","doi-asserted-by":"publisher","first-page":"1165","DOI":"10.1080\/14756366.2021.1931861","volume":"36","author":"RH Zhang","year":"2021","unstructured":"Zhang RH, Guo HY, Deng H, Li J, Quan ZS (2021) Piperazine skeleton in the structural modification of natural products: a review. J Enzyme Inhib Med Chem 36(1):1165\u20131197","journal-title":"J Enzyme Inhib Med Chem"},{"issue":"8","key":"845_CR33","doi-asserted-by":"publisher","first-page":"730","DOI":"10.2174\/1573406419666230102104648","volume":"19","author":"M Bala","year":"2023","unstructured":"Bala M, Piplani P, Ankalgi A, Jain A, Chandel L (2023) 1, 3, 4-Thiadiazole: a versatile pharmacophore of medicinal significance. Med Chem 19(8):730\u2013756","journal-title":"Med Chem"},{"key":"845_CR34","doi-asserted-by":"publisher","first-page":"104638","DOI":"10.1016\/j.bioorg.2021.104638","volume":"108","author":"M Alomari","year":"2021","unstructured":"Alomari M, Taha M, Rahim F, Selvaraj M, Iqbal N, Chigurupati S, Hussain S, Uddin N, Almandil NB, Nawaz M, Khalid Farooq R, Khan KM (2021) Synthesis of indole-based-thiadiazole derivatives as a potent inhibitor of \u03b1-glucosidase enzyme along with in silico study. Bioorg Chem 108:104638","journal-title":"Bioorg Chem"},{"issue":"1","key":"845_CR35","doi-asserted-by":"publisher","first-page":"213","DOI":"10.1007\/s11696-021-01842-1","volume":"76","author":"H Ullah","year":"2022","unstructured":"Ullah H, Liaqat A, Khan QU, Taha M, Khan F, Rahim F, Rehman ZU (2022) Synthesis, in vitro thymidine phosphorylase activity and molecular docking study of thiadiazole bearing isatin analogs. Chem Papers 76(1):213\u2013224","journal-title":"Chem Papers"},{"issue":"2","key":"845_CR36","doi-asserted-by":"publisher","first-page":"1297","DOI":"10.3390\/molecules16021297","volume":"16","author":"A Hasan","year":"2011","unstructured":"Hasan A, Thomas NF, Gapil S (2011) Synthesis, characterization and antifungal evaluation of 5-substituted-4-amino-1, 2, 4-triazole-3-thioesters. Molecules 16(2):1297\u20131309","journal-title":"Molecules"},{"issue":"21","key":"845_CR37","doi-asserted-by":"publisher","first-page":"3477","DOI":"10.1002\/adsc.201600633","volume":"358","author":"Y Zheng","year":"2016","unstructured":"Zheng Y, Qing FL, Huang Y, Xu XH (2016) Tunable and practical synthesis of thiosulfonates and disulfides from sulfonyl chlorides in the presence of tetrabutylammonium iodide. Adv Synth Catal 358(21):3477\u20133481","journal-title":"Adv Synth Catal"},{"key":"845_CR38","doi-asserted-by":"publisher","DOI":"10.1142\/s2737416526500067","author":"Y Khan","year":"2025","unstructured":"Khan Y, Hussain R, Maqsood S, Naeem MU, da Costa RA, Sattar A, Costa RAd, Binsaleh AY, Alkhatib SN, Al-Hoshani N, Al-Joufi FA, Haq T, Khan AA (2025) Design, synthesis and computational approaches of highly potent thiazole-based isoxazole targeting thymidine phosphorylase and urease inhibitors. J Comput Biophys Chem. https:\/\/doi.org\/10.1142\/s2737416526500067","journal-title":"J Comput Biophys Chem"},{"key":"845_CR39","doi-asserted-by":"publisher","first-page":"101319","DOI":"10.1016\/j.rechem.2024.101319","volume":"7","author":"A Sarkar","year":"2024","unstructured":"Sarkar A, Concilio S, Sessa L, Marrafino F, Piotto S (2024) Advancements and novel approaches in modified AutoDock Vina algorithms for enhanced molecular docking. Results Chem 7:101319","journal-title":"Results Chem"},{"key":"845_CR40","doi-asserted-by":"publisher","first-page":"75","DOI":"10.1515\/znc-2024-0244","volume":"81","author":"Y Khan","year":"2025","unstructured":"Khan Y, Mukhtiar A, Sarfraz H, Khan S, Hussain R, Naeem MU, Jabbir F (2025) Unveiling of the novel benzothiazole derived thiazolidinone derivatives: in vitro and in silico insights to design a promising agent for anti-Alzheimer\u2019s disease. Zeitschrift f\u00fcr Naturforschung C 81:75\u201393","journal-title":"Zeitschrift f\u00fcr Naturforschung C"},{"key":"845_CR41","doi-asserted-by":"publisher","DOI":"10.1515\/pac-2025-0649","author":"Y Khan","year":"2026","unstructured":"Khan Y, UlNaeem M, Naqvi SF, Aslam S, Adnan R, Naseem M, Aminullah S (2026) Identification of bis-thiazole linked oxazine Schiff bases: synthesis, in-vitro biological evaluation and computational insights toward potent urease and thymidine phosphorylase inhibitors. Pure and Appl Chem. https:\/\/doi.org\/10.1515\/pac-2025-0649","journal-title":"Pure and Appl Chem"},{"key":"845_CR42","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiolchem.2025.108741","author":"I Khan","year":"2025","unstructured":"Khan I, Rehman W, Farghaly TA, Sardar A, Daud S, Iqbal N, Naeem MU (2025) New thiazine derivatives with dual potential for lipoxygenase inhibition and hemolytic activity: synthesis, characterization and molecular docking studies. Comput Biol Chem. https:\/\/doi.org\/10.1016\/j.compbiolchem.2025.108741","journal-title":"Comput Biol Chem"},{"key":"845_CR43","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiolchem.2025.108789","author":"Y Khan","year":"2025","unstructured":"Khan Y, Naeem MU, Arooj K, Naseem M, Adnan R (2025) A Comprehensive computational and experimental study of novel imidazole linked thiadiazole based amide derivatives as cholinesterase duel-target inhibitor for the treatment of alzheimer\u2019s disease. Comput Biol Chem. https:\/\/doi.org\/10.1016\/j.compbiolchem.2025.108789","journal-title":"Comput Biol Chem"},{"issue":"3","key":"845_CR44","doi-asserted-by":"publisher","first-page":"183.a","DOI":"10.1007\/s40203-025-00469-4","volume":"13","author":"S Ravishankar","year":"2025","unstructured":"Ravishankar S, Chandrasekaran S, Abdulkadhar MJ (2025) Studies on the role of terpinolene a monoterpene on neuropathic pain: an in silico and molecular dynamic approach. In Silico Pharmacol 13(3):183.a","journal-title":"In Silico Pharmacol"}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-026-00845-y.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1007\/s10822-026-00845-y","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-026-00845-y.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,6,23]],"date-time":"2026-06-23T10:35:29Z","timestamp":1782210929000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/s10822-026-00845-y"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,6,23]]},"references-count":44,"journal-issue":{"issue":"1","published-online":{"date-parts":[[2026,12]]}},"alternative-id":["845"],"URL":"https:\/\/doi.org\/10.1007\/s10822-026-00845-y","relation":{},"ISSN":["1573-4951"],"issn-type":[{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,6,23]]},"assertion":[{"value":"6 March 2026","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"19 May 2026","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"23 June 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":"Condlict of interest"}}],"article-number":"156"}}