177
Views
8
CrossRef citations to date
0
Altmetric
Articles

In silico toxicity investigation of Methaqualone’s conjunctival, retinal, and gastrointestinal hemorrhage by molecular modelling approach

ORCID Icon, ORCID Icon & ORCID Icon
Pages 1639-1649 | Received 25 Apr 2022, Accepted 07 Aug 2022, Published online: 18 Aug 2022

References

  • Ionescu-Pioggia M, Bird M, Orzack MH, et al. Methaqualone. Int Clin Psychopharmacol. 1988;3(2):97–109. doi:10.1097/00004850-198804000-00001.
  • Hammer H, Bader BM, Ehnert C, et al. A Multifaceted GABAA Receptor Modulator: Functional Properties and Mechanism of Action of the Sedative-Hypnotic and Recreational Drug Methaqualone (Quaalude). Mol Pharmacol. 2015;88(2):401–420. doi:10.1124/mol.115.099291.
  • van Zyl EF. A survey of reported synthesis of methaqualone and some positional and structural isomers. Forensic Sci Int. 2001;122(2-3):142–149. doi:10.1016/s0379-0738(01)00484-4.
  • Lewis JR, Steindler EM. Methaqualone. JAMA. 1973;224(11):1521–1522. doi:10.1001/jama.1973.03220250043015.
  • Holstege CP. Methaqualone. Encyclopedia of Toxicology. 2005;2:297–298.
  • Majelyne W, De Clerck F, Demeter J, et al. Treatment evaluation of a severe methaqualone intoxication in man. Vet Hum Toxicol. 1979;21 Suppl:201–204.
  • Matthew H, Proudfoot AT, Brown SS, et al. Mandrax poisoning: conservative management of 116 patients. Br Med J. 1968;2(5597):101–102. doi:10.1136/bmj.2.5597.101.
  • Dowd P, Ham SW, Naganathan S, et al. The mechanism of action of vitamin K. Annu Rev Nutr. 1995;15:419–440. doi:10.1146/annurev.nu.15.070195.002223.
  • Liu S, Li S, Shen G, et al. Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science. 2021;371(6524):eabc5667, doi:10.1126/science.abc5667.
  • Chen X, Liu Y, Furukawa N, et al. A novel vitamin K derived anticoagulant tolerant to genetic variations of vitamin K epoxide reductase. J Thromb Haemost. 2021;19(3):689–700. doi:10.1111/jth.15209.
  • Rishavy MA, Berkner KL. Insight into the coupling mechanism of the vitamin K-dependent carboxylase: mutation of histidine 160 disrupts glutamic acid carbanion formation and efficient coupling of vitamin K epoxidation to glutamic acid carboxylation. Biochemistry. 2008;47(37):9836–9846. doi:10.1021/bi800296r.
  • Jackson CM, Suttie JW. Recent developments in understanding the mechanism of vitamin K and vitamin K-antagonist drug action and the consequences of vitamin K action in blood coagulation. Prog Hematol. 1977;10:333–359.
  • Michelson AD. New P2Y12 antagonists. Curr Opin Hematol. 2009;16(5):371–377. doi:10.1097/MOH.0b013e32832ea2f2.
  • Mills DG. Effects of methaqualone on blood platelet function. Clin Pharmacol Ther. 1978;23(6):685–691. doi:10.1002/cpt1978236685.
  • Ramakers C, van der Heul C, van Wijk EM. Stollingsonderzoek: PT en APTT [Investigation of coagulation time: PT and APTT]. Ned Tijdschr Geneeskd. 2012;156(0):A3985.
  • Smith SA, Travers RJ, Morrissey JH. How it all starts: Initiation of the clotting cascade. Crit Rev Biochem Mol Biol. 2015;50(4):326–336. doi:10.3109/10409238.2015.1050550.
  • Dahlbäck B. Pro- and anticoagulant properties of factor V in pathogenesis of thrombosis and bleeding disorders. Int J Lab Hematol. 2016;38 Suppl 1:4–11. doi:10.1111/ijlh.12508.
  • Zrieq R, Ahmad I, Snoussi M, et al. Tomatidine and Patchouli Alcohol as Inhibitors of SARS-CoV-2 Enzymes (3CLpro, PLpro and NSP15) by Molecular Docking and Molecular Dynamics Simulations. Int J Mol Sci. 2021;22(19):10693. Published 2021 Oct 2, doi:10.3390/ijms221910693.
  • Pawara R, Ahmad I, Nayak D, et al. Novel, selective acrylamide linked quinazolines for the treatment of double mutant EGFR-L858R/T790M Non-small-cell lung cancer (NSCLC). Bioorg Chem. 2021;115:105234, doi:10.1016/j.bioorg.2021.105234.
  • Cattaneo M. P2y12 receptors: structure and function. J Thromb Haemost. 2015;13:S10–S16. doi:10.1111/jth.12952.
  • Patel H, Ansari A, Pawara R, et al. Design and synthesis of novel 2,4-disubstituted aminopyrimidines: reversible non-covalent T790M EGFR inhibitors. J Recept Signal Transduct Res. 2018;38(5-6):393–412. doi:10.1080/10799893.2018.1557207.
  • Patel H, Ahmad I, Jadhav H, et al. Investigating the impact of different acrylamide (electrophilic warhead) on osimertinib’s pharmacological spectrum by molecular mechanic and quantum mechanic approach. Comb Chem High Throughput Screen. 2021;25(1):149–166. doi:10.2174/1386207323666201204125524.
  • Ahmad I, Akand SR, Shaikh M, et al. Synthesis, molecular modelling study of the methaqualone analogues as anti-convulsant agent with improved cognition activity and minimized neurotoxicity. J Mol Struct. 2022;1251:131972.
  • Pawara R, Ahmad I, Nayak D, et al. Design and synthesis of the novel, selective WZ4002 analogue as EGFR-L858R/T790M tyrosine kinase inhibitors for targeted drug therapy in non-small-cell lung cancer (NSCLC). J Mol Struct. 2022;1254:132313.
  • Pawara R, Ahmad I, Surana S, et al. Computational identification of 2,4-disubstituted amino-pyrimidines as L858R/T790M-EGFR double mutant inhibitors using pharmacophore mapping, molecular docking, binding free energy calculation, DFT study and molecular dynamic simulation. In Silico Pharmacology. 2021;9(1):54. Published 2021 Oct 6, doi:10.1007/s40203-021-00113-x.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.