Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
7.9
4.9
Journals
Pharmaceutics
Special Issues
Novel Approaches in the Search for Active Compounds in Drug...
share announcement

Novel Approaches in the Search for Active Compounds in Drug Discovery and Development

A special issue of Pharmaceutics (ISSN 1999-4923). This special issue belongs to the section "Drug Targeting and Design".

Deadline for manuscript submissions: closed (1 April 2025) | Viewed by 7277

Special Issue Editors

Dr. Małgorzata Anna Marć

E-Mail Website
Guest Editor
Department of Technology and Biotechnology of Drugs, Faculty of Pharmacy, Jagiellonian University Medical College, Medyczna 9, 30-688 Kraków, Poland
Interests: ADMETox; pharmacology; anticancer research; multidrug resistance; efflux pumps; cytotoxicity; apoptosis; antibacterial assays; pharmaceutical biotechnology; drug discovery & development; selenocompounds; small molecules; probiotics
Special Issues, Collections and Topics in MDPI journals
Dr. Enrique Domínguez-Álvarez

E-Mail Website
Guest Editor
Instituto de Química Orgánica General, Consejo Superior de Investigaciones Científicas (IQOG-CSIC) Juan de la Cierva 3, 28006 Madrid, Spain
Interests: selenium; anticancer research; antibacterial activity; cancer multidrug resistance; bacterial multidrug resistance; efflux pumps; medicinal chemistry; organic synthesis; selenium chemistry; antifungal activity
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Jadwiga Handzlik

E-Mail Website
Guest Editor
Department of Technology and Biotechnology of Drugs, Faculty of Pharmacy, Jagiellonian University Medical College, Medyczna 9, 30-688 Kraków, Poland
Interests: medicinal chemistry; synthesis; CADD; multidrug resistance; memory disorders; depression; Alzheimer’s disease; arrhythmia; ADMET; imidazolone; hydantoin; thiohydantoin; piperazine; selenium; chalcogen
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

We are pleased to invite you to submit your research work results or review articles to our latest Special Issue. We especially encourage authors who work with novel approaches in the search for active small compounds in drug discovery and development. Authors can submit their works regarding both synthetic or natural compounds, with potential applications in multiple fields including cancer, microbiology, immunology and many other areas.

This Special Issue aims to provide an overview of the current findings regarding novel approaches in the search for active compounds with potential applications as novel drug candidates or adjuvants. In particular, we welcome research articles comprising aspects related to the synthesis, biological evaluation, and physico-chemistry of potential drug hits or the development of new methods in the drug discovery and development field.

In this Special Issue, both original research articles and reviews are welcome. Research areas may include (but are not limited to) the following topics: bioorganic chemistry, organic synthesis, biosynthesis, multidrug resistance, ADMETox aspects, novel compounds, drug candidates, and pharmaceutical biotechnology. Additionally, we are eager to publish studies with use in expounding the synthesis of future drug candidates or adjuvants in the fight against multidrug-resistant conditions, as well as works regarding the use of non-usual elements in organic compounds, such as transition metals and rare earth elements or heavy semimetals like selenium, tellurium, arsenic and iodine.

We look forward to receiving your contributions.

Dr. Małgorzata Anna Marć
Dr. Enrique Domínguez-Álvarez
Prof. Dr. Jadwiga Handzlik
Guest Editors

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. Pharmaceutics is an international peer-reviewed open access monthly 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 2900 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

  • drug candidates
  • adjuvants
  • multidrug resistance
  • organic synthesis
  • ADMETox
  • cancer research
  • antimicrobial agents
  • immunology
  • novel approaches
  • drug discovery & development
  • transition metals
  • rare earth elements
  • selenium
  • tellurium
  • arsenic

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.

Further information on MDPI's Special Issue policies can be found here.

Published Papers (4 papers)

Download All Papers
Order results
Result details
Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:

Research

Jump to: Review

19 pages, 6713 KiB  
Article
In Vitro Enzymatic and Computational Assessments of Pyrazole–Isatin and Pyrazole–Indole Conjugates as Anti-Diabetic, Anti-Arthritic, and Anti-Inflammatory Agents
by Ahmed M. Naglah, Abdulrahman A. Almehizia, Mohammed Ghazwani, Asma S. Al-Wasidi, Abdelrahman A. Naglah, Wael M. Aboulthana and Ashraf S. Hassan
Pharmaceutics 2025, 17(3), 293; https://doi.org/10.3390/pharmaceutics17030293 - 23 Feb 2025
Cited by 1 | Viewed by 567
Abstract
Background/Objectives: Recently, the prevalence of diseases such as diabetes, arthritis, and inflammatory diseases, along with their complications, has become a significant health problem. This is in addition to the various biomedical applications of pyrazole, isatin, and indole derivatives. Accordingly, cooperation will continue [...] Read more.
Background/Objectives: Recently, the prevalence of diseases such as diabetes, arthritis, and inflammatory diseases, along with their complications, has become a significant health problem. This is in addition to the various biomedical applications of pyrazole, isatin, and indole derivatives. Accordingly, cooperation will continue between chemistry scientists, pharmaceutical scientists, and human doctors to produce hybrid compounds from pyrazole with isatin or indole possessing biological activities as anti-diabetic, anti-arthritic, and anti-inflammatory agents. Methods: The two series of pyrazole–isatin conjugates 12a–h and pyrazole–indole conjugates 14a–d were prepared from our previous works via the direct reaction of 5-amino-pyrazoles 10a–d with N-alkyl isatin 11a,b, and 1H-indole-3-carbaldehyde (13), respectively, using the previously reported procedure. The potential biological activities of 12a–h and 14a–d as anti-diabetic, anti-arthritic, and anti-inflammatory agents were assessed through estimated inhibition percentage (%) and the median inhibitory concentrations (IC50) using methods described in the literature. Further, the computational assessments of 12a–h and 14a–d such as toxic doses (the median lethal dose, LD50), toxicity classes, drug-likeness model scores (DLMS), molecular lipophilicity potential (MLP) maps, polar surface area (PSA) maps, and topological polar surface area (TPSA) values were predicted using available free websites. Results: The in vitro enzymatic assessment results showed that pyrazole–indole conjugate 14b possesses powerful activities against (i) α-amylase (% = 65.74 ± 0.23, IC50 = 4.21 ± 0.03 µg/mL) and α-glucosidase (% = 55.49 ± 0.23, IC50 = 2.76 ± 0.01 µg/mL); (ii) the protein denaturation enzyme (% = 49.30 ± 0.17) and against the proteinase enzyme (% = 46.55 ± 0.17) with an IC50 value of 6.77 ± 0.01 µg/mL; (iii) the COX-1, COX-2, and 5-LOX enzymes with an IC50 of 5.44 ± 0.03, 5.37 ± 0.04, and 7.52 ± 0.04, respectively, which is almost close to the IC50 of the indomethacin and zileuton drugs. Also, the computational assessment results showed (i) the conjugate 14b possesses lipophilic surface properties thus can cross cell membranes, and is effective for treatment; (ii) all the conjugates possess a TPSA value of more than 140 Å2 thus possess good intestinal absorption. Conclusions: The two series of pyrazole–isatin conjugates 12a–h and pyrazole–indole conjugates 14a–d were synthesized from our previous works. The results of these in vitro enzymatic and computational assessments concluded that the pyrazole–indole conjugate 14b possesses powerful activities against various studied enzymes and possesses good computational results. In the future, our research team will present in vitro, in vivo biological, and computational assessments to hopefully obtain effectual agents such as anti-diabetic, anti-arthritic, and anti-inflammatory. Full article
(This article belongs to the Special Issue Novel Approaches in the Search for Active Compounds in Drug Discovery and Development)
►▼ Show Figures

Figure 1

14 pages, 4848 KiB  
Article
Impact of V9302, a Competitive Antagonist of Transmembrane Glutamine Flux on Reversal of Resistance in Breast Cancer Cell Lines
by Nikoletta Szemerédi, Zsuzsanna Schelz, Dária Antónia Horvath, Bálint Rácz, András G. Szatmári, Hiba F. Muddather, Noémi Bózsity, István Zupkó and Gabriella Spengler
Pharmaceutics 2024, 16(7), 877; https://doi.org/10.3390/pharmaceutics16070877 - 29 Jun 2024
Viewed by 1680
Abstract
Chemotherapy is a known treatment modality that improves the long-term survival of breast cancer patients. However, due to the resistance to numerous anticancer drugs, alternative chemotherapeutic strategies are required. Regarding antimetabolic drugs, several compounds have proven anticancer properties, such as statins. The present [...] Read more.
Chemotherapy is a known treatment modality that improves the long-term survival of breast cancer patients. However, due to the resistance to numerous anticancer drugs, alternative chemotherapeutic strategies are required. Regarding antimetabolic drugs, several compounds have proven anticancer properties, such as statins. The present study aimed to investigate the in vitro effects of V9302, a competitive antagonist of glutamine flux, on different subtypes of breast cancers (estrogen, progesterone, and HER2 receptor-positive or negative, and Pgp-negative and Pgp-overexpressing). The interactions of V9302 with standard chemotherapeutic drugs (doxorubicin and cisplatin) were also determined by MTT staining on breast cancer cell lines. Furthermore, the influence of V9302 on the cell cycle of MCF-7 and its Pgp-overexpressing counterpart KCR was monitored by flow cytometry. It was shown that V9302 exerted synergistic interactions with doxorubicin in all breast cancer cell lines. In cell cycle analysis, the KCR cell line was more sensitive to V9302. After 48 h, cell proliferation was completely blocked, and elevated G1, suppressed S, and decreased G2/M could be detected. Inhibition of glutamate transport can be assumed to block resistance related to Pgp. Full article
(This article belongs to the Special Issue Novel Approaches in the Search for Active Compounds in Drug Discovery and Development)
►▼ Show Figures

Figure 1

14 pages, 1523 KiB  
Article
Seleno-Warfare against Cancer: Decoding Antitumor Activity of Novel Acylselenoureas and Se-Acylisoselenoureas
by Eduardo Angulo-Elizari, Asif Raza, Ignacio Encío, Arun K. Sharma, Carmen Sanmartín and Daniel Plano
Pharmaceutics 2024, 16(2), 272; https://doi.org/10.3390/pharmaceutics16020272 - 14 Feb 2024
Cited by 1 | Viewed by 2052
Abstract
Currently, cancer remains a global health problem. Despite the existence of several treatments, including chemotherapy, immunotherapy, and radiation therapy, the survival rate for most cancer patients, particularly those with metastasis, remains unsatisfactory. Thus, there is a continuous need to develop novel, effective therapies. [...] Read more.
Currently, cancer remains a global health problem. Despite the existence of several treatments, including chemotherapy, immunotherapy, and radiation therapy, the survival rate for most cancer patients, particularly those with metastasis, remains unsatisfactory. Thus, there is a continuous need to develop novel, effective therapies. In this work, 22 novel molecules containing selenium are reported, including seven Se-acylisoselenoureas synthesized from aliphatic carbodiimides as well as acylselenoureas with the same carbo- and heterocycles and aliphatic amines. After an initial screening at two doses (50 and 10 µM) in MDA-MB-231 (breast), HTB-54 (lung), DU-145 (prostate), and HCT-116 (colon) tumor cell lines, the ten most active compounds were identified. Additionally, these ten hits were also submitted to the DTP program of the NCI to study their cytotoxicity in a panel of 60 cancer cell lines. Compound 4 was identified as the most potent antiproliferative compound. The results obtained showed that compound 4 presented IC50 values lower than 10 µM in the cancer cell lines, although it was not the most selective one. Furthermore, compound 4 was found to inhibit cell growth and cause cell death by inducing apoptosis partially via ROS production. Overall, our results suggest that compound 4 could be a potential chemotherapeutic drug for different types of cancer. Full article
(This article belongs to the Special Issue Novel Approaches in the Search for Active Compounds in Drug Discovery and Development)
►▼ Show Figures

Figure 1

Review

Jump to: Research

50 pages, 10633 KiB  
Review
Resurgence and Repurposing of Antifungal Azoles by Transition Metal Coordination for Drug Discovery
by Youri Cortat and Fabio Zobi
Pharmaceutics 2023, 15(10), 2398; https://doi.org/10.3390/pharmaceutics15102398 - 28 Sep 2023
Cited by 5 | Viewed by 1764
Abstract
Coordination compounds featuring one or more antifungal azole (AA) ligands constitute an interesting family of candidate molecules, given their medicinal polyvalence and the viability of drug complexation as a strategy to improve and repurpose available medications. This review reports the work performed in [...] Read more.
Coordination compounds featuring one or more antifungal azole (AA) ligands constitute an interesting family of candidate molecules, given their medicinal polyvalence and the viability of drug complexation as a strategy to improve and repurpose available medications. This review reports the work performed in the field of coordination derivatives of AAs synthesized for medical purposes by discussing the corresponding publications and emphasizing the most promising compounds discovered so far. The resulting overview highlights the efficiency of AAs and their metallic species, as well as the potential still lying in this research area. Full article
(This article belongs to the Special Issue Novel Approaches in the Search for Active Compounds in Drug Discovery and Development)
►▼ Show Figures

Figure 1

Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:
 
Displaying articles 1-4
Back to TopTop