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Molecules
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Application of Spectroscopy for Drugs
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Application of Spectroscopy for Drugs

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: 28 February 2025 | Viewed by 1839

Special Issue Editor

Dr. Congbao Kang

E-Mail Website
Guest Editor
Experimental Drug Development Centre, Agency for Science, Technology and Research, Singapore, Singapore
Interests: drug discovery; NMR spectroscopy; structural biology; fragment-based drug design; target-ligand interactions; membrane proteins
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Spectroscopy is a powerful analytical technique used extensively in the pharmaceutical industry for various purposes, including drug discovery, development, and quality control. Its application in drugs spans from elucidating molecular structures to ensuring the specificity, efficacy, and safety of products. Many spectroscopy techniques such as Nuclear Magnetic Resonance (NMR) Spectroscopy, Infrared (IR) Spectroscopy, Ultraviolet–Visible (UV-Vis) Spectroscopy, Mass Spectrometry (MS), Fluorescence Spectroscopy, and Raman Spectroscopy have been playing important roles in drug discovery and development. Some key applications of spectroscopy in the field of drugs are as follows:

  1. Structural Characterization;
  2. Purity and Quality Control;
  3. Quantitative Analysis;
  4. Stability Testing;
  5. Formulation Development;
  6. Polymorph Screening;
  7. Process Analytical Technology (PAT);
  8. Bioavailability Studies;
  9. Protein-Ligand Interaction Studies;
  10. Raman Spectroscopy;
  11. Chiral Analysis;
  12. Efficacy and Specificity Evaluation;
  13. Others.

In summary, spectroscopy plays a vital role in various aspects of drug development and pharmaceutical analysis, from target characterization to ensuring product quality and safety throughout the drug development lifecycle.

This Special Issue will offer a forum to present papers focused on the application of Spectroscopy for Drugs. We kindly invite you to contribute a research paper, rapid communication, perspective, or review article on your latest research activities in the aforementioned field.

Dr. Congbao Kang
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • structure and dynamics
  • analytical techniques
  • biomolecular interactions
  • pharmacokinetics
  • metabolism
  • drug stability
  • drug discovery

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Published Papers (2 papers)

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13 pages, 4371 KiB  
Article
Investigating the Discoloration of Leaves of Dioscorea polystachya Using Developed Atomic Absorption Spectrometry Methods for Manganese and Molybdenum
by David Krüger, Alexander Weng and Daniel Baecker
Molecules 2024, 29(16), 3975; https://doi.org/10.3390/molecules29163975 - 22 Aug 2024
Viewed by 433
Abstract
The Chinese yam (Dioscorea polystachya, DP) is promising for the food and pharmaceutical industries due to its nutritional value and pharmaceutical potential. Its proper cultivation is therefore of interest. An insufficient supply of minerals necessary for plant growth can be manifested [...] Read more.
The Chinese yam (Dioscorea polystachya, DP) is promising for the food and pharmaceutical industries due to its nutritional value and pharmaceutical potential. Its proper cultivation is therefore of interest. An insufficient supply of minerals necessary for plant growth can be manifested by discoloration of the leaves. In our earlier study, magnesium deficiency was excluded as a cause. As a follow-up, this work focused on manganese and molybdenum. To quantify both minerals in leaf extracts of DP, analytical methods based on atomic absorption spectrometry (AAS) using the graphite furnace sub-technique were devised. The development revealed that the quantification of manganese works best without using any of the investigated modifiers. The optimized pyrolysis and atomization temperatures were 1300 °C and 1800 °C, respectively. For the analysis of molybdenum, calcium proved to be advantageous as a modifier. The optimum temperatures were 1900 °C and 2800 °C, respectively. Both methods showed satisfactory linearity for analysis. Thus, they were applied to quantify extracts from normal and discolored leaves of DP concerning the two minerals. It was found that discolored leaves had higher manganese levels and a lower molybdenum content. With these results, a potential explanation for the discoloration could be found. Full article
(This article belongs to the Special Issue Application of Spectroscopy for Drugs)
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15 pages, 1684 KiB  
Perspective
Insights into the Versatility of Using Atomic Absorption Spectrometry in Antibacterial Research
by David Krüger, James T. P. Matshwele, Muhammad Dauda Mukhtar and Daniel Baecker
Molecules 2024, 29(13), 3120; https://doi.org/10.3390/molecules29133120 - 30 Jun 2024
Cited by 1 | Viewed by 1071
Abstract
The ongoing development of bacterial resistance to antibiotics is a global challenge. Research in that field is thus necessary. Analytical techniques are required for such a purpose. From this perspective, the focus was on atomic absorption spectrometry (AAS). Although it is old, AAS [...] Read more.
The ongoing development of bacterial resistance to antibiotics is a global challenge. Research in that field is thus necessary. Analytical techniques are required for such a purpose. From this perspective, the focus was on atomic absorption spectrometry (AAS). Although it is old, AAS often offers unexpected potential. Of course, this should be exploited. The aim was therefore to demonstrate the versatility of the technique in antibacterial research. This is illustrated by various examples of its practical application. AAS can be used, for example, to confirm the identity of antibacterial compounds, for purity controls, or to quantify the antibiotics in pharmaceutical preparations. The latter allowed analysis without laborious sample preparation and without interference from other excipients. In addition, AAS can help elucidate the mode of action or resistance mechanisms. In this context, quantifying the accumulation of the antibiotic drug in the cell of (resistant) bacteria appears to play an important role. The general application of AAS is not limited to metal-containing drugs, but also enables the determination of some organic chemical antibiotics. Altogether, this perspective presents a range of applications for AAS in antibacterial research, intending to raise awareness of the method and may thus contribute to the fight against resistance. Full article
(This article belongs to the Special Issue Application of Spectroscopy for Drugs)
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