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Browsing by Author "Natural Product Chemistry and Drug Design"
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Elemental fingerprinting of Hypericum perforatum (St John's Wort) herb and preparations using ICP-OES and chemometrics
Owen, Jade D.; Kirton, Stewart B.; Evans, Sara J.; Stair, Jacqueline L. (2016-06-05)St. John's wort (SJW) (Hypericum perforatum) is a herbal remedy commonly used to treat mild depression. The elemental profiles of 54 samples (i.e., dry herbs, tablets and capsules) were evaluated by monitoring 25 elements ... -
Emergence and identification of new products of designer drug products from the internet
Assi, Sulaf; Fergus, Suzanne; Stair, Jacqueline; Corazza, Ornella; Schifano, Fabrizio (2011)Designer drugs represent a rapidly expanding phenomenon particularly facilitated by their Internet availability. These drugs are continuously emerging as analogues of controlled substances (amfetamine, aminoindane, cathinone, ... -
Establishing the importance of oil-membrane interactions on the transmembrane diffusion of physicochemically diverse compounds
Najib, Omaima N.; Martin, Gary P; Kirton, Stewart; Sallam, Al-Sayed; Murnane, Darragh (2016-06-15)The diffusion process through a non-porous barrier membrane depends on the properties of the drug, vehicle and membrane. The aim of the current study was to investigate whether a series of oily vehicles might have the ... -
Evaluating academic answers generated using ChatGPT
Fergus, Suzanne; Botha, Michelle; Ostovar, Mehrnoosh (2023-04-11)The integration of technology in education has become ever more prioritized since the COVID-19 pandemic. Chat Generative Pre-Trained Transformer (ChatGPT) is an artificial intelligence technology that generates conversational ... -
FUNCTIONAL AND HISTOLOGICAL CHANGES IN RAT URINARY BLADDER FOLLOWING SHORT AND LONG TERM KETAMINE EXPOSURE
Gant, Alex; Fergus, Suzanne; Benham, Christopher; Lione, Lisa (2020-11-18)Introduction: Due partly to their dissociative properties, ketamine and related new psychoactive substances (NPS) are widely used as recreational drugs. This has led to the discovery of a link between the chronic use of ... -
Guanidine derivatives as inhibitors of DDAH
Psychopharmacology, Drug Misuse and Novel Psychoactive Substances Unit; Centre for Research in Mechanisms of Disease and Drug Discovery; Natural Product Chemistry and Drug Design; Department of Clinical, Pharmaceutical and Biological Science; Centre for Health Services and Clinical Research; School of Life and Medical Sciences; Rossiter, Sharon; Vallance, Patrick; Leiper, James; Selwood, David; Hartzoulakis, Basil (2009) -
Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy
Rossiter, S.; Folkes, L.K.; Wardman, P. (2002) -
Horseradish peroxidase-mediated gene therapy : choice of prodrugs in oxic and anoxic tumor conditions
Greco, O.; Rossiter, S.; Kanthou, C.; Folkes, L.K.; Wardman, P.; Tozer, G.M.; Dachs, G.U. (2001) -
Identification of new psychoactive substances using Raman spectroscopy: handheld and computational approaches.
Guirguis, Amira; Kirton, Stewart; Zloh, Mire; Samaras, Eleftherios; Girotto, Sarah; Berti, Benedetta; Stair, Jacqueline (Research and Advances in Psychiatry, 2016-05)At this conference, I gave a presentation on the identification of new psychoactive substances using handheld Raman spectroscopy and chemometrics. -
Impact of incorporating the 2C5 crystal structure into comparative models of cytochrome P450 2D6
Kirton, S.B.; Sutcliffe, M.J.; Kemp, C.A.; Tomkinson, N.P.; St-Gallay, S. (2002-11-01)Cytochrome P450 2D6 (CYP2D6) metabolizes approximately one third of the drugs in current clinical use. To gain insight into its structure and function, we have produced four different sets of comparative models of 2D6: one ... -
In Silico Investigations into the Selectivity of Psychoactive and New Psychoactive Substances in Monoamine Transporters
Kirton, Stewart; Botha, Michelle (2022-11-01)New psychoactive substances (NPS) are a group of compounds that mimic the effects of illicit substances. A range of NPS have been shown to interact with the three main classes of monoamine transporters (DAT, NET, and SERT) ... -
In silico methods for predicting ligand binding determinants of cytochromes P450
de Groot, M. J.; Kirton, S. B.; Sutcliffe, M. J. (2004)A large number of computational methodologies have been used to predict, and thus help explain, the metabolism catalysed by the enzymes of the cytochrome P450 superfamily (P450s). A summary of the methodologies and resulting ... -
In Silico Prediction of Aqueous Solubility Using Simple QSPR Models : The Importance of Phenol and Phenol-like Moieties
Ali, Jogoth; Camilleri, Patrick; Brown, Marc; Hutt, Andrew John; Kirton, Stewart Brian (2012-10-28)Recently the authors published a robust QSPR model of aqueous solubility which exploited the computationally derived molecular descriptor topographical polar surface area (TPSA) alongside experimentally determined melting ... -
In silico structural evaluation of short cationic antimicrobial peptides
Passarini, Ilaria; Rossiter, Sharon; Malkinson, John; Zloh, Mire (2018-06-21)Cationic peptides with antimicrobial properties are ubiquitous in nature and have been studied for many years in an attempt to design novel antibiotics. However, very few molecules are used in the clinic so far, sometimes ... -
The influence of oily vehicle composition and vehicle-membrane interactions on the diffusion of model permeants across barrier membranes
Najib, Omaima N.; Martin, Gary P.; Kirton, Stewart B.; Botha, Michelle J.; Sallam, Al Sayed; Murnane, Darragh (2021-01-14)In many instances, one or more components of a pharmaceutical or cosmetic formulation is an oil. The aims of this study were two-fold. First, to examine the potential of preferential uptake of one oily vehicle component ... -
Inhibition of dimethylarginine dimethylaminohydrolase (DDAH) and arginine deiminase (ADI) by pentafluorophenyl (PFP) sulfonates
Vallance, P.; Bush, H.D.; Mok, B.J.; Hurtado-Guerrero, R.; Gill, H.; Rossiter, S.; Wilden, J.D.; Caddick, S. (2005) -
Insights into Study Strategies and Habits: A Study with Undergraduate Students in Spain and the U.K.
Fergus, Suzanne; Heelan, Amy; Ibrahim, Sara; Oyman, Hasan; Diaz-de-Mera, Yolanda; Notario, Alberto (2021-10-12)The approach that students take in their studies at university is critical not only for their academic success but is equally important in life-long learning for their career and professional development. Cognitive science ... -
Intended and Unintended Use of Cathinone Mixtures
Guirguis, Amira; Corkery, John; Stair, Jacqueline; Kirton, Stewart; Zloh, Mire; Schifano, Fabrizio (2017-06-28)Introduction: Cathinones are one of the most popular categories of new psychoactive substances (NPS) consumed. Cathinones have different pharmacological activities and receptor selectivity for monoamine transporters based ... -
The Khat and Meow Meow Tale : Teaching the Relevance of Chemistry through Novel Recreational Drugs
Fergus, Suzanne; Kellett, Kathryn; Gerhard, Ute (2015)Using current research and real-life scenarios to motivate students to understand chemistry principles is a key strategy in learning and teaching. An illustration of psychoactive drugs referred to as “legal highs” used in ... -
Mephedrone (4-methylmethcathinone; 'meow meow') : chemical, pharmacological and clinical issues
Schifano, Fabrizio; Albanese, Antonio; Fergus, Suzanne; Stair, Jacqueline; Deluca, Paolo; Corazza, Ornella; Davey, Zoe; Corkery, John; Siemann, Holger; Scherbaum, Norbert; Farre', Magi'; Torrens, Marta; Demetrovics, Zsolt; Ghodse, A. Hamid; ReDNet Res Grp, Psychonaut Web Mapping (2011)Recently, those substances deriving from the active ingredient of the Khat plant, cathinone, have been rising in popularity. Indeed, 4-methylmethcathinone (mephedrone; 'meow meow' and others) has been seen by some as a ...