Emerging trends in drugs, addictions, and health最新文献

{"title":"Neurobiological Sequelae of the Passive or Voluntary Administration of the Synthetic Cannabinoid Receptor Agonist JWH-018","authors":"M.A. De Luca","doi":"10.1016/j.etdah.2023.100084","DOIUrl":"10.1016/j.etdah.2023.100084","url":null,"abstract":"<div><div>The use of synthetic cannabinoids receptor agonists (SCRAs) is growing among adults and adolescents, posing major medical and psychiatric risks. JWH-018 represents the reference compound of SCRA-containing products. Our studies were performed to evaluate the enduring consequences of repeated JWH-018 exposure by both passive administration (0.25 mg/kg ip qd, 14 days) in adult rats, and by intravenous self-administration (lever pressing, Fixed Ratio 1–3; 7.5 µg/kg/inf) in adolescent mice. Main results, obtained 24 hours and 7 days after drug discontinuation, showed that repeated JWH-018 exposure in adult rats: (i) induced anxious/aversive behaviors; (ii) decreased spontaneous activity and number of dopamine neurons in the VTA; and (iii) decreased dopamine sensitivity in the NAc shell and core, but not in the mPFC, to a first chocolate exposure; conversely, after a second exposure, dialysate dopamine fully increased in the NAc shell and core but not in the mPFC. Moreover, passive JWH-018 induced: (iv) astrogliosis (mPFC, NAc shell/core, VTA), microgliosis (NAc shell/core), and downregulation of CB1 receptors (mPFC, NAc shell/core). Other studies showed that adolescent JWH-018 IVSA induced at adulthood: (i) repetitive/compulsive-like behaviors; (ii) microgliosis (CPu, NAc) and astrocytopathy (CPu), as revealed by a decreased GFAP expression; (iii) increased of the chemokines MPC1 (striatum) and RANTES (cortex), and a decrease of the cytokines IL2 and IL13 (cortex). Taken together, these data suggest that the long-lasting behavioral and neurochemical effects of JWH-018 exposures may not differ substantially as a function of passive or voluntary administration except for some specific aspects of the brain immune response, that deserve further clarification.</div></div>","PeriodicalId":72899,"journal":{"name":"Emerging trends in drugs, addictions, and health","volume":"4 ","pages":"Article 100084"},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143141019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthetic Cannabinoid and Methadone Co-administration in Prolonging the QTc Interval","authors":"K.L. Rock,&nbsp;L. Hesketh,&nbsp;M. Shattock,&nbsp;M. Curtis,&nbsp;S. Hudson,&nbsp;C.S. Copeland","doi":"10.1016/j.etdah.2023.100117","DOIUrl":"10.1016/j.etdah.2023.100117","url":null,"abstract":"<div><h3>Introduction</h3><div>Synthetic cannabinoid receptor agonists (SCRAs) are frequently used with other psychoactive substances. We aimed to investigate the poly-pharmacology of SCRA-related deaths and mechanism of SCRA toxicity.</div></div><div><h3>Methods</h3><div>NPSAD analysis - Cases with post-mortem detections of SCRA(s) and/or methadone were extracted from the National Programme on Substance Abuse Deaths (NPSAD). In vitro pharmacology - Guinea pig hearts were perfused in standard Krebs solution at constant pressure. The ECG was recorded, with the beat-to-beat ventricular cycle length variability quantified. Methadone and the SCRA 5F-ADB were applied alone and in combination.</div></div><div><h3>Results</h3><div>NPSAD analysis - In SCRA-related deaths, methadone was the most commonly co-detected pharmaceutical medication (n=68/254 cases). The median methadone concentration in methadone-only deaths (0.66mg/L) was significantly higher than in deaths attributable to methadone-SCRA co-administration (0.47mg/L; p&lt;0.05). In vitro pharmacology - Low dose (10µM) methadone elongated the QTc interval (13.8msec±2.6). Co-application of 5F-ADB further increased the QTc interval, in a dose-dependent manner (0.3-30nM), by a maximum of 60.9msec±7.4. 5F-ADB alone had no effect.</div></div><div><h3>Conclusions</h3><div>The SCRA 5F-ADB significantly reduces the toxicity threshold of methadone, likely via QT elongation. SCRA-related fatality may therefore be linked to co-administration with compounds that induce long QT syndrome. Careful consideration is needed when prescribing medications to people who use SCRAs.</div></div>","PeriodicalId":72899,"journal":{"name":"Emerging trends in drugs, addictions, and health","volume":"4 ","pages":"Article 100117"},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143141475","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"New Psychoactive Substances Discharged at Rest Areas along Interstate Highway in Kentucky - Wastewater Analysis","authors":"B. Subedi,&nbsp;A. Rani,&nbsp;C. Delcher,&nbsp;A. Stites","doi":"10.1016/j.etdah.2023.100123","DOIUrl":"10.1016/j.etdah.2023.100123","url":null,"abstract":"<div><h3>Introduction</h3><div>New psychoactive substances (NPS) such as synthetic opioids, synthetic cannabinoids, synthetic cathinones, and piperazines are intermittently introduced in the illicit drug supply chain. To monitor this ever-changing landscape of NPS, wastewater-based epidemiology offers a comprehensive, non-invasive, cost-effective, and time-efficient approach.</div></div><div><h3>Methods</h3><div>Twenty-three forensically identified NPS were simultaneously analyzed in wastewater samples collected from rest areas along the interstate highway in Kentucky over twelve months using solid phase extraction and ultra-performance liquid chromatography coupled with tandem mass spectrometry.</div></div><div><h3>Results</h3><div>Para-hydroxy methamphetamine and 1-(3-chlorophenyl) piperazine were the most frequently detected NPS (detection frequency, df = 100%). The mean mass load of para-hydroxy methamphetamine (methamphetamine corrected 85.9 mg/d/1000 people) and MAB- CHMINACA (9.06 mg/d/1000 people) were among the highest. Mitragynine and 4-methyl pentedrone have recently been associated with overdose deaths. In wastewater samples, mitragynine and 4-methyl pentedrone were detected (df ≥ 98%) at 36.4 and 28.5 mg/d/1000 people, respectively.</div></div><div><h3>Conclusions</h3><div>This study shows that wastewater surveillance at the rest areas can potentially complement the existing forensic surveillance, such as components of the National Drug Early Warning System, in detecting NPS outbreaks.</div></div>","PeriodicalId":72899,"journal":{"name":"Emerging trends in drugs, addictions, and health","volume":"4 ","pages":"Article 100123"},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143141478","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Identification of Nine Compounds known as “Smart Drugs” in Japan from 2020 to 2022","authors":"R. Tanaka,&nbsp;M. Kawamura,&nbsp;S. Mizutani,&nbsp;R. Kikura-Hanajiri","doi":"10.1016/j.etdah.2023.100124","DOIUrl":"10.1016/j.etdah.2023.100124","url":null,"abstract":"<div><h3>Introduction</h3><div>In recent years, several compounds known as “smart drugs”, also known as “nootropics”, have been detected in Japan. The smart drugs have been claiming to enhancing human brain activity. In this study, nine compounds known as “smart drugs” were isolated and identified from the products sold as reagents or supplements.</div></div><div><h3>Methods</h3><div>Six powdery products and three capsule products were obtained on the internet in Japan between April 2020 and June 2022. They were analyzed by LC-PDA-MS and GC-MS, and compounds detected in the products were identified by direct comparison with data of analytical standards or performed by NMR (1H-NMR, 13C-NMR, HMQC, HMBC, H-H COSY).</div></div><div><h3>Results</h3><div>Two of these substances were identified as Phenylpiracetam and Phenylpiracetam hydrazide by the LC-QTOF-MS and NMR. The other seven unknown substances were identified as IDRA-21, Bromantane, Sunfiram, 9-MBC, Fasoracetam, CE-123, and GTS-21 by comparing the data with those of the authentic substances. Phenylpiracetam and Phenylpiracetam hydrazide are analogs of piracetam, which is used to treat memory impairment in Alzheimer's disease, stroke, and Parkinson's disease. CE-123 is an analog of modafinil, a psychostimulant, used for the treatment of narcolepsy.</div></div><div><h3>Conclusions</h3><div>Some of the compounds detected in this study are analogs of pharmaceuticals or compounds synthesized for drug development. Since these pharmaceuticals have pharmacological effects on central nervous system, an excessive intake of these analogs may cause health problems.</div></div>","PeriodicalId":72899,"journal":{"name":"Emerging trends in drugs, addictions, and health","volume":"4 ","pages":"Article 100124"},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143141479","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Adding the Clues to CanKet's Presence in Toxicological Casework","authors":"J. Huynh,&nbsp;V. Gosselin,&nbsp;B. Garneau,&nbsp;P. Mireault","doi":"10.1016/j.etdah.2023.100097","DOIUrl":"10.1016/j.etdah.2023.100097","url":null,"abstract":"<div><h3>Introduction</h3><div>A driving under the influence of drugs (DUID) case brought on the identification of a newly emerging ketamine analogue. Following a 12-step evaluation, a drug recognition expert collected a urine sample and a nasal swab from an individual who admitted to ketamine consumption.</div></div><div><h3>Methods</h3><div>Systematic targeted screening was performed on liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS). This method covers 144 analytes, including 57 novel psychoactive substances (NPS). Further general unknown screening was performed using a gas chromatography – mass spectrometry (GC-MS) method.</div></div><div><h3>Results</h3><div>While both urine and the nasal swab were negative for ketamine in the LC-MS/MS analysis, an interference was noted in the 7-aminonitrazepam (urine) and eutylone (urine and nasal swab) windows (erroneous ion ratio). Both items’ GC-MS analysis turned out positive for 3- fluoro-2-oxo PCE (fluorexetamine) when compared to the Cayman library. Discussion with the Canadian drug chemistry laboratory brought to light recent seizures of 2-fluoro-2-oxo PCE (CanKet). Injection of reference materials showed that these were undistinguishable under our current analytical methods.</div></div><div><h3>Conclusions</h3><div>This case demonstrates that forensic toxicologists must remain alert to the appearance of previously undetected NPS in casework, the possibility of false identifications when relying on libraries, and subtle clues appearing in casework, such as interferences in other methods. Using the LC-MS/MS interferences as a CanKet proxy, 7 cases of DUID were subsequently sent to GC-MS analysis and confirmed to contain 2-fluoro-2-oxo PCE.</div></div>","PeriodicalId":72899,"journal":{"name":"Emerging trends in drugs, addictions, and health","volume":"4 ","pages":"Article 100097"},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143141755","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"EMCDDA Framework for Naming Cathinones","authors":"B. Pulver,&nbsp;S. Fischmann,&nbsp;A. Gallegos,&nbsp;R. Christie","doi":"10.1016/j.etdah.2023.100114","DOIUrl":"10.1016/j.etdah.2023.100114","url":null,"abstract":"<div><h3>Introduction</h3><div>The short names attributed to the 170 cathinones monitored by the EMCDDA are only loosely associated with structural features. Although related to the parent compound cathinone, one of the psychoactive principals in khat, attributing consistent, informative, and user-friendly common names to these substances is challenging.</div></div><div><h3>Methods</h3><div>Current naming approaches were reviewed and common structural features of cathinones identified, for which abbreviations were derived from organic chemistry nomenclature and current names.</div></div><div><h3>Results</h3><div>An EMCDDA naming framework based on the main motifs ‘cathinone’ and ‘phenone’ was developed by incorporating earlier naming approaches. The framework name of each cathinone is composed of a parent element, which, combined with information on the keto alkyl chain or the amine substitution, yields the principal name. Additional substitutions are prepended to the principal name. Other parent elements besides the two main motifs (e.g., naphthalen-2-yl) are included in the naming framework. The framework also provides exceptions for several cathinones scheduled under UN and EU legislation and structural analogs (e.g. mephedrone/4 MMC/4-methylmethcathinone).</div></div><div><h3>Conclusions</h3><div>The EMCDDA framework on naming cathinones provides practical guidance through examples and explanations of the rationale on how consistent semi-systematic names can be derived. Owing to the structural diversity of NPS, the forensic community, researchers, and policy makers widely recognize the need for harmonized naming to achieve consensus in the denomination of NPS in legislative texts and scientific dialogue.</div></div>","PeriodicalId":72899,"journal":{"name":"Emerging trends in drugs, addictions, and health","volume":"4 ","pages":"Article 100114"},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140984","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chromatographic Retention Index for the Identification of Illicit Substances","authors":"G.H. Giudice,&nbsp;A.H.L. Machado,&nbsp;J.J. Zacca,&nbsp;M.P. Souza,&nbsp;L.N.B. Caldas,&nbsp;E.D. Botelho,&nbsp;J.C.L. Ambrósio","doi":"10.1016/j.etdah.2023.100092","DOIUrl":"10.1016/j.etdah.2023.100092","url":null,"abstract":"<div><h3>Introduction</h3><div>New Psychoactive Substances have a high introduction rate into the market and represent a huge challenge from a regulatory and forensic point of view. Thus, the need for a method capable of identifying NPS, without the availability of certified analytical standards, arises.</div></div><div><h3>Methods</h3><div>The methodology of the work relies on the development of a GC/MS method; its validation; and the calculation of the Kovats’ Retention Index. This index was selected because it was reported as a tool for high-precision identification. A total of twenty-two substances were used: AM-2201, MAM-2201, JWH-081, JWH-210, N-ethylpentylone, 5-MAPB, 2-FA, 25C-NBOMe, o-CPP, p-CPP, U-47700, 5-MeO-MiPT, 5-IAI, Salvia divinorium, methiopropamine, THC, heroin, amphetamine, methamphetamine, MDMA, cocaine, and ephedrine.</div></div><div><h3>Results</h3><div>The method presented one Selectivity limitation (coelution of methiopropamine and methamphetamine). Resolution values were higher than 1.25, indicating signal separation. Separation Factor, Number of Theoretical Plates, and Tailing provided satisfactory results. Evaluation of Intermediate Precision indicated Relative Standard Deviations (RSD) that varied from 0.02 to 0.29%, lower than the literature. Robustness evaluation using a Fractional Factorial Design identified that changing the column polarity was the most influential factor, while column brand, gas flow, split rate, injector temperature, and ramp temperature did not interfere significantly. Retention Index was calculated without overlap and the Global Confidence Interval varied from 0,5 to 20,6 Retention Index Unity and the RSD varied from 0,02 to 0,29%, inferior to the range found in the literature.</div></div><div><h3>Conclusions</h3><div>The results of the development and validation indicate the adequacy of the method that uses Kovats’ Retention Index to identify NPS. The collection of Index calculated can be updated and made available to forensic institutes to be used as a tool in NPS identification.</div></div>","PeriodicalId":72899,"journal":{"name":"Emerging trends in drugs, addictions, and health","volume":"4 ","pages":"Article 100092"},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140974","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pharmacovigilance for Psychiatric Pharmacotherapy","authors":"R.K.S. Al Essa","doi":"10.1016/j.etdah.2023.100064","DOIUrl":"10.1016/j.etdah.2023.100064","url":null,"abstract":"<div><h3>Introduction</h3><div>Patients have become a priority for the health system. Several studies showed that health systems meant to improve people's health is an important source of disease. Psychiatric disorders are often managed with pharmacotherapy, and because of their chronic and relapsing nature, most practice guidelines recommend medications to be continued for several months or years. Misuse and abuse of novel psychoactive substances (NPS) has always been a public health and law enforcement challenge. Therefore, such substances always place patients/users at risk of experiencing a variety of adverse drug reactions (ADRs). Some ADRs are life-threatening while others are disabling and can seriously affect the patient's quality of life.</div></div><div><h3>Methods</h3><div>A systematic exploratory review of the literature is performed using articles from PubMed, Scopus, Google scholar, Academia, and Research Gate, to critically appraise and the importance of pharmacovigilance for psychiatric pharmacotherapy.</div></div><div><h3>Results</h3><div>The systematic exploratory review show that pharmacovigilance is not only a “specialist” activity; it is the responsibility of all those involved in the care of patients with medications, including doctors, nurses, pharmacists, and paramedical staff.</div></div><div><h3>Conclusions</h3><div>This study determines the significance of pharmacovigilance and risk management plans in monitoring the safety of psychotic drugs and managing the risks of antipsychotic related ADRs. Furthermore, it provides a useful ground for the physicians, nurses, and pharmacists to acquaint themselves with concepts and methods of Pharmacovigilance in the psychiatric field.</div></div>","PeriodicalId":72899,"journal":{"name":"Emerging trends in drugs, addictions, and health","volume":"4 ","pages":"Article 100064"},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143141689","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"5HT2A Receptors are Involved in the Pharmaco-Toxicological Effects of the Synthetic Cannabinoids JWH-018 and 5F-PB22: in Vivo Studies in Mice","authors":"G. Corli,&nbsp;M. Tirri,&nbsp;T. Bernardi,&nbsp;F. Boccuto,&nbsp;M. Borsari,&nbsp;M. Bassi,&nbsp;S. Bilel,&nbsp;M. Marti","doi":"10.1016/j.etdah.2023.100081","DOIUrl":"10.1016/j.etdah.2023.100081","url":null,"abstract":"<div><h3>Introduction</h3><div>Since their first appearance on the illicit drugs market, Synthetic Cannabinoids (SCs) have been frequently detected in biological samples from patients involved in several intoxication and death cases. To date, their serious adverse effects have been primarily related to their action as potent agonist of CB1 cannabinoid receptors. However, evidence concerning the potential interaction between SCs and serotoninergic neurotransmission system has emerged. Thus, this study aims to evaluate the involvement of 5HT2A receptors in the effects provoked by these substances.</div></div><div><h3>Methods</h3><div>The effects induced by acute systemic administration of 1-pentyl-3-(1-naphthoyl)indole (JWH-018; 1 mg/kg) and quinolin-8-yl 1-pentyfluoro-1H-indole-3-8-carboxylate (5F-PB22; 1 mg/kg) on sensorimotor (visual, acoustic and tactile) responses, pain threshold (acute mechanical and thermal nociception), core temperature, breath rate and motor performance (stepping activity), as well as their interaction with the selective 5HT2A receptors antagonist MDL100907 (0.1 mg/kg), have been evaluated in CD-1 male mice.</div></div><div><h3>Results</h3><div>The present results pointed out that both substances deeply alter sensorimotor responses, nociceptive threshold, core temperature, breath rate and motor activity in mice. Noteworthy, pretreatment with MDL100907 at least partially prevented sensorimotor disruption, as well as antinociceptive and hypothermic effects.</div></div><div><h3>Conclusions</h3><div>This study states the relevance of serotoninergic 5HT2A mechanisms on pharmaco-toxicological effects induced by SCs, suggesting the potential risk of increased susceptibility for psychotic-like symptoms also related to mental disorders.</div></div>","PeriodicalId":72899,"journal":{"name":"Emerging trends in drugs, addictions, and health","volume":"4 ","pages":"Article 100081"},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143141016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Evaluation of Ligand-Based Models on Opioids Receptors Form Street Emerged Hits","authors":"V. Catalani,&nbsp;V. Abbate,&nbsp;G. Floresta,&nbsp;F. Schifano","doi":"10.1016/j.etdah.2023.100077","DOIUrl":"10.1016/j.etdah.2023.100077","url":null,"abstract":"<div><div>The misuse of opioids has become a major public health crisis worldwide. Synthetic opioids, in particular, pose a significant danger due to their potency and potential for addiction. In this study, we aimed to evaluate the reliability of ligand-based models for predicting the structure of new synthetic opioids. We used the Molecular Operating Environment (MOE) software to create ligand-based models for three opioid receptors: mu, delta, and kappa. We trained the models on a dataset of known opioids, and then used them to predict the structure of new opioids based on their chemical properties. Our results showed that the ligand-based models were reliable in predicting the structure of new synthetic opioids. In fact, some of the structures predicted by the models were later identified on the street as new synthetic opioids. This demonstrates the potential of in silico modelling to aid in the identification and prediction of new synthetic opioids. In conclusion, our study highlights the utility of ligand-based models in predicting the structure of new synthetic opioids. By leveraging in silico modelling tools, we can potentially identify and predict new synthetic opioids before they emerge on the street, providing a critical tool in the fight against the opioid epidemic.</div></div>","PeriodicalId":72899,"journal":{"name":"Emerging trends in drugs, addictions, and health","volume":"4 ","pages":"Article 100077"},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143141017","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}