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Review

NMR as a “Gold Standard” Method in Drug Design and Discovery

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Core Labs, King Abdullah University of Science and Technology, Thuwal 23955-6900, Saudi Arabia
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Biological and Environmental Sciences & Engineering Division (BESE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia
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Department of Chemistry, University of Alberta, Edmonton, AB T6G 2W2, Canada
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Biology Department, Faculty of Science, Taibah University, Yanbu El-Bahr 46423, Saudi Arabia
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Nanomedicine Department, Institute for Research and Medical, Consultations (IRMC), Imam Abdulrahman Bin Faisal University (IAU), Dammam 31441, Saudi Arabia
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Department of Medical Sciences and Public Health, Università di Cagliari, Cittadella Universitaria, 09042 Monserrato, Italy
*
Authors to whom correspondence should be addressed.
Academic Editor: Simona Golič Grdadolnik
Molecules 2020, 25(20), 4597; https://doi.org/10.3390/molecules25204597
Received: 22 September 2020 / Revised: 5 October 2020 / Accepted: 6 October 2020 / Published: 9 October 2020
(This article belongs to the Special Issue NMR in the Drug Design)
Studying disease models at the molecular level is vital for drug development in order to improve treatment and prevent a wide range of human pathologies. Microbial infections are still a major challenge because pathogens rapidly and continually evolve developing drug resistance. Cancer cells also change genetically, and current therapeutic techniques may be (or may become) ineffective in many cases. The pathology of many neurological diseases remains an enigma, and the exact etiology and underlying mechanisms are still largely unknown. Viral infections spread and develop much more quickly than does the corresponding research needed to prevent and combat these infections; the present and most relevant outbreak of SARS-CoV-2, which originated in Wuhan, China, illustrates the critical and immediate need to improve drug design and development techniques. Modern day drug discovery is a time-consuming, expensive process. Each new drug takes in excess of 10 years to develop and costs on average more than a billion US dollars. This demonstrates the need of a complete redesign or novel strategies. Nuclear Magnetic Resonance (NMR) has played a critical role in drug discovery ever since its introduction several decades ago. In just three decades, NMR has become a “gold standard” platform technology in medical and pharmacology studies. In this review, we present the major applications of NMR spectroscopy in medical drug discovery and development. The basic concepts, theories, and applications of the most commonly used NMR techniques are presented. We also summarize the advantages and limitations of the primary NMR methods in drug development. View Full-Text
Keywords: NMR; drug design; drug development; drug discovery; therapeutics NMR; drug design; drug development; drug discovery; therapeutics
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MDPI and ACS Style

Emwas, A.-H.; Szczepski, K.; Poulson, B.G.; Chandra, K.; McKay, R.T.; Dhahri, M.; Alahmari, F.; Jaremko, L.; Lachowicz, J.I.; Jaremko, M. NMR as a “Gold Standard” Method in Drug Design and Discovery. Molecules 2020, 25, 4597. https://doi.org/10.3390/molecules25204597

AMA Style

Emwas A-H, Szczepski K, Poulson BG, Chandra K, McKay RT, Dhahri M, Alahmari F, Jaremko L, Lachowicz JI, Jaremko M. NMR as a “Gold Standard” Method in Drug Design and Discovery. Molecules. 2020; 25(20):4597. https://doi.org/10.3390/molecules25204597

Chicago/Turabian Style

Emwas, Abdul-Hamid; Szczepski, Kacper; Poulson, Benjamin G.; Chandra, Kousik; McKay, Ryan T.; Dhahri, Manel; Alahmari, Fatimah; Jaremko, Lukasz; Lachowicz, Joanna I.; Jaremko, Mariusz. 2020. "NMR as a “Gold Standard” Method in Drug Design and Discovery" Molecules 25, no. 20: 4597. https://doi.org/10.3390/molecules25204597

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