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Pharmaceuticals, Volume 15, Issue 6

June 2022 - 121 articles

Cover Story: Many metered-dose inhaler (MDI) users with respiratory diseases cannot comply well with instructions and inhale differently during MDI actuation. A computational model was developed to investigate the pulmonary drug delivery from a ProAir MDI under varying inhalation depths. Experimental measurements were implemented as initial/boundary conditions for the spray aerosols from the actuator orifice. Remarkable differences were predicted in airflow dynamics and dosimetry in the MDI mouthpiece and oral cavity. Model cross-validation with existing experiments indicated a high dosimetry sensitivity to the initial spray properties (size and velocity) and transient inhalation rate. The results highlight the importance of personalized inhalation therapy to match patients’ breathing patterns for optimal delivery efficiencies. View this paper
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Articles (121)

  • Review
  • Open Access
34 Citations
8,473 Views
34 Pages

Development of Radiotracers for Imaging of the PD-1/PD-L1 Axis

  • Fabian Krutzek,
  • Klaus Kopka and
  • Sven Stadlbauer

Immune checkpoint inhibitor (ICI) therapy has emerged as a major treatment option for a variety of cancers. Among the immune checkpoints addressed, the programmed death receptor 1 (PD-1) and its ligand PD-L1 are the key targets for an ICI. PD-L1 has...

  • Article
  • Open Access
7 Citations
4,457 Views
17 Pages

L-Asparaginase from Penicillium sizovae Produced by a Recombinant Komagataella phaffii Strain

  • Marcela Freitas,
  • Paula Souza,
  • Mauricio Homem-de-Mello,
  • Yris M. Fonseca-Bazzo,
  • Damaris Silveira,
  • Edivaldo X. Ferreira Filho,
  • Adalberto Pessoa Junior,
  • Dipak Sarker,
  • David Timson and
  • João Inácio
  • + 1 author

L-asparaginase is an important enzyme in the pharmaceutical field used as treatment for acute lymphoblastic leukemia due to its ability to hydrolyze L-asparagine, an essential amino acid synthesized by normal cells, but not by neoplastic cells. Adver...

  • Article
  • Open Access
5 Citations
3,759 Views
15 Pages

Mechanistic Analysis of Chemically Diverse Bromodomain-4 Inhibitors Using Balanced QSAR Analysis and Supported by X-ray Resolved Crystal Structures

  • Magdi E. A. Zaki,
  • Sami A. Al-Hussain,
  • Aamal A. Al-Mutairi,
  • Vijay H. Masand,
  • Abdul Samad and
  • Rahul D. Jawarkar

Bromodomain-4 (BRD-4) is a key enzyme in post-translational modifications, transcriptional activation, and many other cellular processes. Its inhibitors find their therapeutic usage in cancer, acute heart failure, and inflammation to name a few. In t...

  • Article
  • Open Access
13 Citations
4,281 Views
15 Pages

Discovery of Triple Inhibitors of Both SARS-CoV-2 Proteases and Human Cathepsin L

  • Ittipat Meewan,
  • Jacob Kattoula,
  • Julius Y. Kattoula,
  • Danielle Skinner,
  • Pavla Fajtová,
  • Miriam A. Giardini,
  • Brendon Woodworth,
  • James H. McKerrow,
  • Jair Lage de Siqueira-Neto and
  • Anthony J. O’Donoghue
  • + 1 author

One inhibitor of the main SARS-CoV-2 protease has been approved recently by the FDA, yet it targets only SARS-CoV-2 main protease (Mpro). Here, we discovered inhibitors containing thiuram disulfide or dithiobis-(thioformate) tested against three key...

  • Article
  • Open Access
9 Citations
3,174 Views
20 Pages

The present research is a comprehensive investigation of Dasycladus vermicularis (Scopoli) Krasser 1898 from the Adriatic Sea (Croatia) regarding volatilome–volatile organic compounds (VOCs, mostly nonpolar compounds) and less polar nonvolatile...

  • Article
  • Open Access
37 Citations
7,462 Views
19 Pages

Longitudinal Consumption of Ergothioneine Reduces Oxidative Stress and Amyloid Plaques and Restores Glucose Metabolism in the 5XFAD Mouse Model of Alzheimer’s Disease

  • Clayton A. Whitmore,
  • Justin R. Haynes,
  • William J. Behof,
  • Adam J. Rosenberg,
  • Mohammed N. Tantawy,
  • Brian C. Hachey,
  • Brian E. Wadzinski,
  • Benjamin W. Spiller,
  • Todd E. Peterson and
  • Krista C. Paffenroth
  • + 5 authors

Background: Ergothioneine (ERGO) is a unique antioxidant and a rare amino acid available in fungi and various bacteria but not in higher plants or animals. Substantial research data indicate that ERGO is a physiological antioxidant cytoprotectant. Di...

  • Article
  • Open Access
3 Citations
3,138 Views
15 Pages

Computational Investigations of Traditional Chinese Medicinal Compounds against the Omicron Variant of SARS-CoV-2 to Rescue the Host Immune System

  • Ziad Tareq Naman,
  • Salim Kadhim,
  • Zahraa J. K. Al-Isawi,
  • Christopher J. Butch and
  • Ziyad Tariq Muhseen

Macrodomain-I of the NSP3 (non-structural protein 3) is responsible for immune response hijacking in the SARS-CoV-2 infection known as COVID-19. In the omicron variant (B.1.1.529), this domain harbors a new mutation, V1069I, which may increase the bi...

  • Article
  • Open Access
7 Citations
5,269 Views
17 Pages

Rational Design by Structural Biology of Industrializable, Long-Acting Antihyperglycemic GLP-1 Receptor Agonists

  • Lei Sun,
  • Zhi-Ming Zheng,
  • Chang-Sheng Shao,
  • Zhi-Yong Zhang,
  • Ming-Wei Li,
  • Li Wang,
  • Han Wang,
  • Gen-Hai Zhao and
  • Peng Wang

Glucagon-like peptide-1 (GLP-1) is easily degraded by dipeptidyl peptidase-4 (DPP-4) in the human body, limiting its therapeutic effect on type II diabetes. Therefore, improving GLP-1 receptor agonist (GLP-1RA) stability is a major obstacle for drug...

  • Review
  • Open Access
10 Citations
3,479 Views
24 Pages

Will the Use of Pharmacogenetics Improve Treatment Efficiency in COVID-19?

  • Beata Franczyk,
  • Jacek Rysz,
  • Jarosław Miłoński,
  • Tomasz Konecki,
  • Magdalena Rysz-Górzyńska and
  • Anna Gluba-Brzózka

The COVID-19 pandemic is associated with a global health crisis and the greatest challenge for scientists and doctors. The virus causes severe acute respiratory syndrome with an outcome that is fatal in more vulnerable populations. Due to the need to...

  • Review
  • Open Access
8 Citations
5,120 Views
17 Pages

Target Therapies for Systemic Mastocytosis: An Update

  • Mariarita Sciumè,
  • Claudio De Magistris,
  • Nicole Galli,
  • Eleonora Ferretti,
  • Giulia Milesi,
  • Pasquale De Roberto,
  • Sonia Fabris and
  • Federica Irene Grifoni

Systemic mastocytosis (SM) results from a clonal proliferation of abnormal mast cells (MCs) in extra-cutaneous organs. It could be divided into indolent SM, smoldering SM, SM with an associated hematologic (non-MC lineage) neoplasm, aggressive SM, an...

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Pharmaceuticals - ISSN 1424-8247