{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,8]],"date-time":"2026-01-08T20:32:09Z","timestamp":1767904329239,"version":"3.49.0"},"reference-count":46,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2025,6,1]],"date-time":"2025-06-01T00:00:00Z","timestamp":1748736000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2025,6,1]],"date-time":"2025-06-01T00:00:00Z","timestamp":1748736000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2025,6,1]],"date-time":"2025-06-01T00:00:00Z","timestamp":1748736000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2025,6,1]],"date-time":"2025-06-01T00:00:00Z","timestamp":1748736000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,6,1]],"date-time":"2025-06-01T00:00:00Z","timestamp":1748736000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2025,6,1]],"date-time":"2025-06-01T00:00:00Z","timestamp":1748736000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,6,1]],"date-time":"2025-06-01T00:00:00Z","timestamp":1748736000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100011665","name":"Deanship of Scientific Research, King Saud University","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100011665","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002383","name":"King Saud University","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100002383","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"published-print":{"date-parts":[[2025,6]]},"DOI":"10.1016\/j.saa.2025.125934","type":"journal-article","created":{"date-parts":[[2025,2,23]],"date-time":"2025-02-23T22:42:54Z","timestamp":1740350574000},"page":"125934","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":1,"special_numbering":"C","title":["Biophysical and structural insights into Azamethiphos-DNA interactions"],"prefix":"10.1016","volume":"334","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3369-1349","authenticated-orcid":false,"given":"Pratik","family":"Singh","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4341-7637","authenticated-orcid":false,"given":"Priyanka","family":"Gopi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0269-5948","authenticated-orcid":false,"given":"Majji Sai Sudha","family":"Rani","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5116-3959","authenticated-orcid":false,"given":"Palak","family":"Sharma","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8089-3467","authenticated-orcid":false,"given":"Shweta","family":"Singh","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9740-8410","authenticated-orcid":false,"given":"Jasjeet","family":"Kaur","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0191-9708","authenticated-orcid":false,"given":"Mohd. Sajid","family":"Ali","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7257-3754","authenticated-orcid":false,"given":"Prateek","family":"Pandya","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.saa.2025.125934_b0005","doi-asserted-by":"crossref","DOI":"10.3390\/ijms23094523","article-title":"Organophosphorus Pesticides as Modulating Substances of Inflammation through the Cholinergic Pathway","volume":"23","author":"Camacho-P\u00e9rez","year":"2022","journal-title":"Int. J. Mol. Sci."},{"key":"10.1016\/j.saa.2025.125934_b0010","doi-asserted-by":"crossref","DOI":"10.1016\/S0065-2423(04)38006-6","article-title":"Organophosphates{plus 45 degree rule}Nerve Agent Poisoning: Mechanism of Action, Diagnosis, Prophylaxis, And Treatment","volume":"38","author":"Bajgar","year":"2004","journal-title":"Adv. Clin. Chem."},{"key":"10.1016\/j.saa.2025.125934_b0015","doi-asserted-by":"crossref","DOI":"10.1097\/00007691-200202000-00022","article-title":"Organophosphate pesticides: Biochemistry and clinical toxicology","author":"Kwong","year":"2002","journal-title":"Ther. Drug Monit."},{"key":"10.1016\/j.saa.2025.125934_b0020","article-title":"Sources of exposure to and public health implications of organophosphate pesticides","volume":"14","author":"Jaga","year":"2003","journal-title":"Revista Panamericana De Salud Publica\/pan Am. J. Public Health"},{"key":"10.1016\/j.saa.2025.125934_b0025","doi-asserted-by":"crossref","unstructured":"J.A. Montory, V.M. Cubillos, O.R. Chaparro, P. Gebauer, M.R. Lee, E. Ram\u00edrez-Kuschel, F. Paredes-Molina, V. Lara-Sandoval, J.P. Cumillaf, L.P. Salas-Yanquin, J.A. B\u00fcchner-Miranda, The Interactive Effects of the Anti-Sea Lice Pesticide Azamethiphos and Temperature on Oxidative Damage and Antioxidant Responses in the Oyster Ostrea chilensis, Antioxidants 2024, Vol. 13, Page 737 13 (2024) 737. Doi: 10.3390\/ANTIOX13060737.","DOI":"10.3390\/antiox13060737"},{"key":"10.1016\/j.saa.2025.125934_b0030","doi-asserted-by":"crossref","DOI":"10.3389\/ftox.2022.948455","article-title":"Differences in neurotoxic outcomes of organophosphorus pesticides revealed via multi-dimensional screening in adult and regenerating planarians","volume":"4","author":"Ireland","year":"2022","journal-title":"Front. Toxicol."},{"key":"10.1016\/j.saa.2025.125934_b0035","unstructured":"A.F.M. Dyro, Organophosphates: Background, Pathophysiology, Epidemiology, Medscape (2014)."},{"key":"10.1016\/j.saa.2025.125934_b0040","first-page":"61","article-title":"Organophosphate Insecticides","volume":"5","author":"Masakazu","year":"2010","journal-title":"Recognition and Management of Pesticide Poisonings"},{"key":"10.1016\/j.saa.2025.125934_b0045","doi-asserted-by":"crossref","DOI":"10.3390\/ijerph19138148","article-title":"Prenatal Exposure to Organophosphorus Pesticides and Preschool ADHD in the Norwegian Mother, Father and Child Cohort Study","volume":"19","author":"Manley","year":"2022","journal-title":"Int. J. Environ. Res. Public Health"},{"key":"10.1016\/j.saa.2025.125934_b0050","doi-asserted-by":"crossref","DOI":"10.1093\/aje\/kws346","article-title":"Cognitive disorders and occupational exposure to organophosphates: Results from the PHYTONER study","volume":"177","author":"Blanc-Lapierre","year":"2013","journal-title":"Am. J. Epidemiol."},{"key":"10.1016\/j.saa.2025.125934_b0055","article-title":"Epigenetic Inheritance and Transgenerational Environmental Justice","volume":"96","author":"Korolenkoa","year":"2023","journal-title":"Yale J. Biol. Med."},{"key":"10.1016\/j.saa.2025.125934_b0060","doi-asserted-by":"crossref","DOI":"10.1186\/s13148-020-00845-1","article-title":"Transgenerational epigenetic effects from male exposure to endocrine-disrupting compounds: A systematic review on research in mammals","volume":"12","author":"Van Cauwenbergh","year":"2020","journal-title":"Clin. Epigenetics"},{"key":"10.1016\/j.saa.2025.125934_b0065","first-page":"1","article-title":"Computational simulation with experimental result correlation of organophosphate pesticides: Fenthion, Fenamiphos, and Azamethiphos","author":"Costa","year":"2024","journal-title":"J. Solid State Electrochem."},{"key":"10.1016\/j.saa.2025.125934_b0070","unstructured":"L. Burridge, A review of potential environmental risks associated with the use of pesticides to treat Atlantic salmon against infestations of sea lice in southwest New Brunswick, Canada, DFO Canadian Science Advisory Secretariat Research Dcument (2013)."},{"key":"10.1016\/j.saa.2025.125934_b0075","doi-asserted-by":"crossref","DOI":"10.3389\/fncel.2015.00124","article-title":"Environmental pollutants as risk factors for neurodegenerative disorders: Alzheimer and Parkinson diseases","volume":"9","author":"Chin-Chan","year":"2015","journal-title":"Front. Cell. Neurosci."},{"key":"10.1016\/j.saa.2025.125934_b0080","doi-asserted-by":"crossref","first-page":"W5","DOI":"10.1093\/nar\/gkab255","article-title":"ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties","volume":"49","author":"Xiong","year":"2021","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.saa.2025.125934_b0085","doi-asserted-by":"crossref","DOI":"10.1289\/EHP9341","article-title":"STopTox: An in Silico Alternative to Animal Testing for Acute Systemic and Topical Toxicity","volume":"130","author":"Borba","year":"2022","journal-title":"Environ. Health Perspect."},{"key":"10.1016\/j.saa.2025.125934_b0090","doi-asserted-by":"crossref","first-page":"26","DOI":"10.1089\/dna.2023.0269","article-title":"Investigation on the Effect of Fluorescence Quenching of Calf Thymus DNA by Piperine: Caspase Activation in the Human Breast Cancer Cell Line Studies","volume":"43","author":"Rezaei","year":"2024","journal-title":"DNA Cell Biol."},{"key":"10.1016\/j.saa.2025.125934_b0095","doi-asserted-by":"crossref","DOI":"10.1002\/jcc.21256","article-title":"Software news and updates AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility","volume":"30","author":"Morris","year":"2009","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.saa.2025.125934_b0100","article-title":"AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility","volume":"31","author":"Steffen","year":"2010","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.saa.2025.125934_b0105","doi-asserted-by":"crossref","DOI":"10.1002\/jmr.2989","article-title":"Thermodynamic and structural profiles of multi-target binding of vinblastine in solution","volume":"35","author":"Gopi","year":"2022","journal-title":"J. Mol. Recognit."},{"key":"10.1016\/j.saa.2025.125934_b0110","doi-asserted-by":"crossref","DOI":"10.1016\/j.saa.2023.122910","article-title":"Binding studies of sertraline hydrochloride with CT-DNA using experimental and computational techniques","volume":"300","author":"Sharma","year":"2023","journal-title":"Spectrochim. Acta A Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2025.125934_b0115","doi-asserted-by":"crossref","DOI":"10.1016\/j.molliq.2023.123472","article-title":"New perspective of the ternary complex of nano-curcumin with \u03b2-lactoglobulin in the presence of \u03b1-lactalbumin: Spectroscopic and molecular dynamic investigations","volume":"392","author":"Tabasi","year":"2023","journal-title":"J. Mol. Liq."},{"key":"10.1016\/j.saa.2025.125934_b0120","doi-asserted-by":"crossref","DOI":"10.1002\/jmr.3076","article-title":"Biophysical and structural characterization of tetramethrin serum protein complex and its toxicological implications","volume":"37","author":"Singh","year":"2024","journal-title":"J. Mol. Recognit."},{"key":"10.1016\/j.saa.2025.125934_b0125","doi-asserted-by":"crossref","DOI":"10.1186\/1758-2946-4-17","article-title":"Avogadro: An advanced semantic chemical editor, visualization, and analysis platform","volume":"4","author":"Hanwell","year":"2012","journal-title":"J Cheminform"},{"key":"10.1016\/j.saa.2025.125934_b0130","doi-asserted-by":"crossref","DOI":"10.1016\/0263-7855(96)00018-5","article-title":"VMD: Visual molecular dynamics","volume":"14","author":"Humphrey","year":"1996","journal-title":"J. Mol. Graph."},{"key":"10.1016\/j.saa.2025.125934_b0135","unstructured":"BIOVIA Discovery Studio Visualizer - Dassault Syst\u00e8mes, (n.d.)."},{"key":"10.1016\/j.saa.2025.125934_b0140","article-title":"NAMD: A parallel, object-oriented molecular dynamics program","volume":"10","author":"Nelson","year":"1996","journal-title":"Int. J. High Perform. Comput. Appl."},{"key":"10.1016\/j.saa.2025.125934_b0145","doi-asserted-by":"crossref","DOI":"10.1080\/07391102.2023.2180665","article-title":"A comparative study on DNA and protein binding properties of thymol and thymoquinone","volume":"41","author":"Parvin","year":"2023","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.saa.2025.125934_b0150","doi-asserted-by":"crossref","DOI":"10.1007\/s11224-022-02034-7","article-title":"Computational insight to structural aspects of Crispine-DNA binding","volume":"34","author":"Agarwal","year":"2023","journal-title":"Struct. Chem."},{"key":"10.1016\/j.saa.2025.125934_b0155","doi-asserted-by":"crossref","DOI":"10.1002\/jcc.20945","article-title":"CHARMM-GUI: A web-based graphical user interface for CHARMM","volume":"29","author":"Jo","year":"2008","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.saa.2025.125934_b0160","doi-asserted-by":"crossref","DOI":"10.1002\/jcc.21287","article-title":"CHARMM: The biomolecular simulation program","volume":"30","author":"Brooks","year":"2009","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.saa.2025.125934_b0165","doi-asserted-by":"crossref","unstructured":"P. Gopi, M. Gurnani, S. Singh, P. Sharma, P. Pandya, Structural aspects of SARS-CoV-2 mutations: Implications to plausible infectivity with ACE-2 using computational modeling approach, Doi: 10.1080\/07391102.2022.2108901 (2022).","DOI":"10.1080\/07391102.2022.2108901"},{"key":"10.1016\/j.saa.2025.125934_b0170","doi-asserted-by":"crossref","DOI":"10.1016\/j.saa.2022.121618","article-title":"Structural aspects of formetanate hydrochloride binding with human serum albumin using spectroscopic and molecular modeling techniques","volume":"281","author":"Singh","year":"2022","journal-title":"Spectrochim. Acta A Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2025.125934_b0175","unstructured":"BIOVIA, Dassault Syst\u00e8mes BIOVIA, Discovery Studio Modeling Environment, Release 2017, Dassault Syst\u00e8mes San Diego (2017)."},{"key":"10.1016\/j.saa.2025.125934_b0180","unstructured":"Dassault Systemes, Biovia Discovery Studio Comprehensive Modeling and Simulations for Life Sciences, Dassault Systemes (2023)."},{"key":"10.1016\/j.saa.2025.125934_b0185","series-title":"GaussView, Version 5","author":"Dennington","year":"2009"},{"key":"10.1016\/j.saa.2025.125934_b0190","doi-asserted-by":"crossref","DOI":"10.1080\/07391102.2020.1769732","article-title":"Synthetic carboline compounds targeting protein: biophysical and biological perspective","volume":"39","author":"Bhattacharjee","year":"2021","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.saa.2025.125934_b0195","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2024.138799","article-title":"A mechanistic insight into the structure, conformational dynamics, affinity profile and energetics of Metanil yellow- serum protein complex","volume":"1315","author":"Rani","year":"2024","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.saa.2025.125934_b0200","doi-asserted-by":"crossref","first-page":"1029","DOI":"10.1080\/07391102.2020.1724568","article-title":"Oil-in-water nanoemulsions comprising Berberine in olive oil: biological activities, binding mechanisms to human serum albumin or holo-transferrin and QMMD simulations","volume":"39","author":"Sharifi-Rad","year":"2021","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.saa.2025.125934_b0205","doi-asserted-by":"crossref","DOI":"10.1016\/j.saa.2023.123815","article-title":"Spectroscopy and molecular simulation on the interaction of Nano-Kaempferol prepared by oil-in-water with two carrier proteins: An investigation of protein\u2013protein interaction","volume":"309","author":"Kaffash","year":"2024","journal-title":"Spectrochim. Acta A Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2025.125934_b0210","doi-asserted-by":"crossref","DOI":"10.1016\/j.saa.2024.125638","article-title":"Evaluating binding behavior of quercetin to human serum albumin and calf thymus DNA: Insights from molecular dynamics, spectroscopy, and apoptotic pathway regulation","volume":"330","author":"Samandar","year":"2025","journal-title":"Spectrochim. Acta A Mol. Biomol. Spectrosc."},{"key":"10.1016\/j.saa.2025.125934_b0215","doi-asserted-by":"crossref","first-page":"1537","DOI":"10.1007\/s10895-023-03169-4","article-title":"Molecular Dynamics and Multi-Spectroscopic of the Interaction Behavior between Bladder Cancer Cells and Calf Thymus DNA with Rebeccamycin: Apoptosis through the Down Regulation of PI3K\/AKT Signaling Pathway","volume":"33","author":"Malek-Esfandiari","year":"2023","journal-title":"J. Fluoresc."},{"key":"10.1016\/j.saa.2025.125934_b0220","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2024.140334","article-title":"Synthesis, cytotoxicity, docking, MD simulation, drug-likeness, ADMET prediction and multi spectroscopic studies of some novel quinoline-4-carboxamide derivatives as DNA intercalating and anticancer agents","volume":"1322","author":"Omidkhah","year":"2025","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.saa.2025.125934_b0225","doi-asserted-by":"crossref","unstructured":"M. Shankar, M.S.S. Rani, P. Gopi, A. P, P. Pandya, Structure and energetics of serum protein complex of tea adulterant dye Bismarck brown Y using experimental and computational methods, Comput. Biol. Chem. 108 (2024) 107976. Doi: 10.1016\/J.COMPBIOLCHEM.2023.107976.","DOI":"10.1016\/j.compbiolchem.2023.107976"},{"key":"10.1016\/j.saa.2025.125934_b0230","doi-asserted-by":"crossref","unstructured":"A. P, P. Gopi, M.S.S. Rani, M. Shankar, P. Pandya, Spectroscopic and computational approaches to investigate the binding mechanism of multi-purpose dye pararosaniline with serum albumin protein, J. Mol. Liq. 394 (2024) 123736. Doi: 10.1016\/J.MOLLIQ.2023.123736.","DOI":"10.1016\/j.molliq.2023.123736"}],"container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142525002409?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142525002409?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,5,16]],"date-time":"2025-05-16T07:29:56Z","timestamp":1747380596000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1386142525002409"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,6]]},"references-count":46,"alternative-id":["S1386142525002409"],"URL":"https:\/\/doi.org\/10.1016\/j.saa.2025.125934","relation":{},"ISSN":["1386-1425"],"issn-type":[{"value":"1386-1425","type":"print"}],"subject":[],"published":{"date-parts":[[2025,6]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Biophysical and structural insights into Azamethiphos-DNA interactions","name":"articletitle","label":"Article Title"},{"value":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.saa.2025.125934","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 Elsevier B.V. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"125934"}}