Virtual and augmented reality applications in medicinal chemistry

Future Medicinal ChemistryVol. 14, No. 20 EditorialVirtual and augmented reality applications in medicinal chemistryPaolo GriecoPaolo Grieco *Author for correspondence: E-mail Address: paolo.grieco@unina.ithttps://orcid.org/0000-0002-6854-8123Department of Pharmacy, University of Naples Federico II, Naples, Italy, 80138Published Online:5 Oct 2022https://doi.org/10.4155/fmc-2022-0213AboutSectionsView ArticleView Full TextPDF/EPUB ToolsAdd to favoritesDownload CitationsTrack CitationsPermissionsReprints ShareShare onFacebookTwitterLinkedInReddit View articleKeywords: augmented realitydrug designdrug discoveryvirtual realityReferences1. Warr WA,A CADD-alog of strategies in pharma, J. Comput. Aided Mol. Des. 31(3), 245–247 (2017).Crossref, Medline, CAS, Google Scholar2. Flick AC, Leverett CA, Ding HX et al. Synthetic approaches to the new drugs approved during 2020, J. Med. Chem. 65(14), 9607–9661 (2022).Crossref, Medline, CAS, Google Scholar3. Humphrey W, Dalke A, Schulten K. VMD: visual molecular dynamics. J. Mol. Graph. 14(1), 33–38 (1996).Crossref, Medline, CAS, Google Scholar4. DeLano WL,PyMOL: an open-source molecular graphics tool, CCP4 News. Prot. Crystal., 40, 82–92 (2002).Google Scholar5. Norrby M, Grebner C, Eriksson J, Bostrom J. Molecular rift: virtual reality for drug designers, J. Chem. Inf. Model., 55(11), 2475–2484 (2015).Crossref, Medline, CAS, Google Scholar6. Eriksen K, Nielsen BE, Pittelkow M,Visualizing 3D molecular structures using an augmented reality app, J. Chem. Educ., 97, 1487–1490 (2020).Crossref, CAS, Google Scholar7. Ratamero EM, Bellini D, Dowson CG, Römer RA. Touching proteins with virtual bare hands: visualizing protein–drug complexes and their dynamics in self-made virtual reality using gaming hardware. J. Comput. Aided Mol. Des. 32, 703–709 (2018).Crossref, Medline, CAS, Google Scholar8. Cheng KH, Tsai CC,Affordances of augmented reality in science learning: suggestions for future research, J. Sci. Educ. Technol.,22, 449–462 (2013).Crossref, CAS, Google Scholar9. Abriata LA,Building blocks for commodity augmented reality-based molecular visualization and modelling in web browsers, Peer J Comput. Sci.,6, e260 (2020).Crossref, Medline, Google Scholar10. Nunes de Vasconcelos G, Malard M, van Stralen M et al. Do we still need CAVEs? Architecture in the Age of the 4th Industrial Revolution – Proceedings of the 37th eCAADe and 23rd SIGraDi Conference. Sousa JPXavier JPCastro HG (Eds). University of Porto, Porto, Portugal, 133–142 (2019).Google Scholar11. Matthews D. Virtual reality applications give science a new dimension. Nature 557, 127–128 (2018)Crossref, Medline, CAS, Google Scholar12. Grebner C, Norrby M, Enstrom J et al. 3D Lab: a collaborative web-based platform for molecular modeling. Future Med. Chem. 8(14), 1739–1752 (2016).Link, CAS, Google Scholar13. Li N, Han T, Tian F et al. Get a grip: evaluating grip gestures for VR input using a lightweight pen. Presented at: ACM CHI Conference on Human Factors in Computing Systems. HI, USA, 25–30 April 2020.Crossref, Google Scholar14. Mikropoulos TA, Natsis A. Educational virtual environments: a ten-year review of empirical research (1999–2009). Comput. Educ. 56(3), 769–780 (2011).Crossref, Google Scholar15. Oigara JN. Integrating Virtual Reality Tools Into Classroom Instruction. Keengwe J (Ed.). Chapter 8 IGI Global, PA, USA, 147–159 (2018).Crossref, Google Scholar16. Freire R, Glowacki BR, Williams RR et al. OMG-VR: open-source mudra gloves for manipulating molecular simulations in VR. Computer Sci. 190103532 (2019).Google Scholar17. Garcia Fracaro S, Chan P, Gallagher T et al. Towards design guidelines for virtual reality training for the chemical industry. Educ. Chem. Eng. 36, 12–23 (2021).Crossref, Google Scholar18. Yang Y. Smart health intelligent healthcare systems in the metaverse, artificial intelligence, and data science era. JOEUC 34(1), 1–14 (2022). Google ScholarFiguresReferencesRelatedDetails Vol. 14, No. 20 Follow us on social media for the latest updates Metrics Downloaded 28 times History Received 31 August 2022 Accepted 13 September 2022 Published online 5 October 2022 Published in print October 2022 Information© 2022 Newlands PressKeywordsaugmented realitydrug designdrug discoveryvirtual realityFinancial & competing interests disclosureThe author has no relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript. This includes employment, consultancies, honoraria, stock ownership or options, expert testimony, grants or patents received or pending or royalties.No writing assistance was utilized in the production of this manuscript.PDF download