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Biomedicines
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Feature Papers in Drug Discovery and Development
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Feature Papers in Drug Discovery and Development

A special issue of Biomedicines (ISSN 2227-9059). This special issue belongs to the section "Drug Discovery, Development and Delivery".

Deadline for manuscript submissions: closed (30 May 2022) | Viewed by 57675

Special Issue Editor

Prof. Dr. Jun Lu

grade E-Mail Website
Guest Editor
Auckland Bioengineering Institute, University of Auckland, Auckland 1142, New Zealand
Interests: diabetes; obesity; cancer; non-communicalbe diseases; marine natural compounds; fucoidan; seaweed; clams; food chemistry; pharmacology; drug metabolism; pharmacokinetics; pre-clinical pharmacology; natural compound extraction; polyamine metabolism; marine bioactives
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue “Feature Papers in Drug Discovery and Development” aims to publish a collection of high-quality research articles and review articles in drug discovery and development with a focus on biomedical research. Since the aim of this Special Issue is to showcase innovative research in biomedical science, we encourage Editorial Board Members of Biomedicines to contribute papers reflecting the latest progress in their research field or to invite relevant experts and colleagues to do so. Topics include, without being limited to:

  • ADME in drug discovery and development
  • Medicinal chemistry in drug discovery
  • Natural compounds in drug discovery
  • Nanomedicine
  • Structure–activity relationships in drug discovery and development
  • Functional biomolecules
  • Functional biomaterials
  • Pharmacology in drug discovery
  • Pharmacology in drug development
  • Genetics in drug discovery
  • Bioinformatics in drug discovery and development
  • Supramolecular biomedicine
  • Preclinical model in drug discovery and development
  • Orphan drugs
  • Novel molecular targets in drug discovery
  • Novel application of old drugs
  • Alternative medicine
  • Adverse drug reactions

Prof. Dr. Jun Lu
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. Biomedicines 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 2600 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

  • Absorption, distribution, metabolism and excretion in drug discovery and development
  • Medicinal chemistry in drug discovery
  • Natural compounds in drug discovery
  • Nanomedicine
  • Structure-activity-relationship in drug discovery and development
  • Functional biomolecules
  • Functional biomaterials
  • Pharmacology in drug discovery
  • Pharmacology in drug development
  • Genetics in drug discovery
  • Bioinformatics in drug discovery and development
  • Supramolecular biomedicine
  • Preclinical model in drug discovery development
  • Orphan drugs
  • Novel molecular targets in drug discovery
  • Novel application of old drugs
  • Alternative medicine
  • Adverse drug reactions

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Published Papers (10 papers)

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Research

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11 pages, 3156 KiB  
Article
Identification of Druggable Genes for Asthma by Integrated Genomic Network Analysis
by Wirawan Adikusuma, Wan-Hsuan Chou, Min-Rou Lin, Jafit Ting, Lalu Muhammad Irham, Dyah Aryani Perwitasari, Wei-Pin Chang and Wei-Chiao Chang
Biomedicines 2022, 10(1), 113; https://doi.org/10.3390/biomedicines10010113 - 6 Jan 2022
Cited by 19 | Viewed by 6351
Abstract
Asthma is a common and heterogeneous disease characterized by chronic airway inflammation. Currently, the two main types of asthma medicines are inhaled corticosteroids and long-acting β2-adrenoceptor agonists (LABAs). In addition, biological drugs provide another therapeutic option, especially for patients with severe asthma. However, [...] Read more.
Asthma is a common and heterogeneous disease characterized by chronic airway inflammation. Currently, the two main types of asthma medicines are inhaled corticosteroids and long-acting β2-adrenoceptor agonists (LABAs). In addition, biological drugs provide another therapeutic option, especially for patients with severe asthma. However, these drugs were less effective in preventing severe asthma exacerbation, and other drug options are still limited. Herein, we extracted asthma-associated single nucleotide polymorphisms (SNPs) from the genome-wide association studies (GWAS) and phenome-wide association studies (PheWAS) catalog and prioritized candidate genes through five functional annotations. Genes enriched in more than two categories were defined as “biological asthma risk genes.” Then, DrugBank was used to match target genes with FDA-approved medications and identify candidate drugs for asthma. We discovered 139 biological asthma risk genes and identified 64 drugs targeting 22 of these genes. Seven of them were approved for asthma, including reslizumab, mepolizumab, theophylline, dyphylline, aminophylline, oxtriphylline, and enprofylline. We also found 17 drugs with clinical or preclinical evidence in treating asthma. In addition, eleven of the 40 candidate drugs were further identified as promising asthma therapy. Noteworthy, IL6R is considered a target for asthma drug repurposing based on its high target scores. Through in silico drug repurposing approach, we identified sarilumab and satralizumab as the most promising drug for asthma treatment. Full article
(This article belongs to the Special Issue Feature Papers in Drug Discovery and Development)
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17 pages, 10361 KiB  
Article
Metronidazole- and Amoxicillin-Loaded PLGA and PCL Nanofibers as Potential Drug Delivery Systems for the Treatment of Periodontitis: In Vitro and In Vivo Evaluations
by Shahla Mirzaeei, Mahla Mansurian, Kofi Asare-Addo and Ali Nokhodchi
Biomedicines 2021, 9(8), 975; https://doi.org/10.3390/biomedicines9080975 - 7 Aug 2021
Cited by 41 | Viewed by 4885
Abstract
The purpose of this study was to prepare poly (D-L) lactide-co-glycolide (PLGA) and poly ε-caprolactone (PCL) nanofibers containing metronidazole and amoxicillin using an electrospinning process as intrapocket sustained-release drug delivery systems for the treatment of periodontal diseases. Scanning electron microscopy showed that the [...] Read more.
The purpose of this study was to prepare poly (D-L) lactide-co-glycolide (PLGA) and poly ε-caprolactone (PCL) nanofibers containing metronidazole and amoxicillin using an electrospinning process as intrapocket sustained-release drug delivery systems for the treatment of periodontal diseases. Scanning electron microscopy showed that the drug containing PLGA and PCL nanofibers produced from the electrospinning process was uniform and bead-free in morphology. The obtained nanofibers had a strong structure and resisted external tension according to the tensiometry results. The cytotoxicity results indicated acceptable cell viability (>80%). Quantification by high-performance liquid chromatography showed almost complete in vitro drug release between 7 and 9 days, whereas 14 days were required for complete drug release in vivo. No significant signs of irritation or inflammatory reaction were detected after three weeks of subcutaneous implantation of nanofibers in the animal models, thus indicating suitable compatibility. The results therefore suggest that the designed nanofibers can be used as potential commercial formulations in the treatment of periodontitis as controlled-release intrapocket drug delivery systems that can increase patient compliance. This is due to their ability to reduce the frequency of administration from three times daily in a systemic manner to once weekly as local delivery. Full article
(This article belongs to the Special Issue Feature Papers in Drug Discovery and Development)
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13 pages, 4333 KiB  
Article
β-Elemene Suppresses Obesity-Induced Imbalance in the Microbiota-Gut-Brain Axis
by Yingyu Zhou, Wanyi Qiu, Yimei Wang, Rong Wang, Tomohiro Takano, Xuyang Li, Zhangliang Zhu, Haruyo Nakajima-Adachi, Masaru Tanokura, Satoshi Hachimura and Takuya Miyakawa
Biomedicines 2021, 9(7), 704; https://doi.org/10.3390/biomedicines9070704 - 22 Jun 2021
Cited by 8 | Viewed by 2896
Abstract
As a kind of metabolically triggered inflammation, obesity influences the interplay between the central nervous system and the enteral environment. The present study showed that β-elemene, which is contained in various plant substances, had effects on recovering the changes in metabolites occurring in [...] Read more.
As a kind of metabolically triggered inflammation, obesity influences the interplay between the central nervous system and the enteral environment. The present study showed that β-elemene, which is contained in various plant substances, had effects on recovering the changes in metabolites occurring in high-fat diet (HFD)-induced obese C57BL/6 male mice brains, especially in the prefrontal cortex (PFC) and hippocampus (HIP). β-elemene also partially reversed HFD-induced changes in the composition and contents of mouse gut bacteria. Furthermore, we evaluated the interaction between cerebral metabolites and intestinal microbiota via Pearson correlations. The prediction results suggested that Firmicutes were possibly controlled by neuron integrity, cerebral inflammation, and neurotransmitters, and Bacteroidetes in mouse intestines might be related to cerebral aerobic respiration and the glucose cycle. Such results also implied that Actinobacteria probably affected cerebral energy metabolism. These findings suggested that β-elemene has regulatory effects on the imbalanced microbiota-gut-brain axis caused by obesity and, therefore, would contribute to the future study in on the interplay between cerebral metabolites from different brain regions and the intestinal microbiota of mice. Full article
(This article belongs to the Special Issue Feature Papers in Drug Discovery and Development)
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20 pages, 2762 KiB  
Article
Synthesis, Characterization, and In Vitro Insulin-Mimetic Activity Evaluation of Valine Schiff Base Coordination Compounds of Oxidovanadium(V)
by Mihaela Turtoi, Maria Anghelache, Andrei A. Patrascu, Catalin Maxim, Ileana Manduteanu, Manuela Calin and Delia-Laura Popescu
Biomedicines 2021, 9(5), 562; https://doi.org/10.3390/biomedicines9050562 - 17 May 2021
Cited by 14 | Viewed by 3285
Abstract
Type 2 diabetes became an alarming global health issue since the existing drugs do not prevent its progression. Herein, we aimed to synthesize and characterize a family of oxidovanadium(V) complexes with Schiff base ligands derived from L-/D-valine (val) and salicylaldehyde (sal) or o [...] Read more.
Type 2 diabetes became an alarming global health issue since the existing drugs do not prevent its progression. Herein, we aimed to synthesize and characterize a family of oxidovanadium(V) complexes with Schiff base ligands derived from L-/D-valine (val) and salicylaldehyde (sal) or o-vanillin (van) as insulin-mimetic agents and to assess their potential anti-diabetic properties. Two new oxidovanadium(V) complexes, [{VVO(R-salval)(H2O)}(μ2-O){VVO(R-salval)}] and [{VVO(R-vanval)(CH3OH)}2(μ2-O)], and their S-enantiomers were synthesized and characterized. The compounds exhibit optical activity as shown by crystallographic and spectroscopic data. The stability, the capacity to bind bovine serum albumin (BSA), the cytotoxicity against human hepatoma cell line, as well as the potential anti-diabetic activity of the four compounds are investigated. The synthesized compounds are stable for up to three hours in physiological conditions and exhibit a high capacity of binding to BSA. Furthermore, the synthesized compounds display cytocompatibility at biologically relevant concentrations, exert anti-diabetic potential and insulin-mimetic activities by inhibiting the α-amylase and protein tyrosine phosphatase activity, and a long-term increase of insulin receptor phosphorylation compared to the insulin hormone. Thus, the in vitro anti-diabetic potential and insulin-mimetic properties of the newly synthesized oxidovanadium(V) compounds, correlated with their cytocompatibility, make them promising candidates for further investigation as anti-diabetic drugs. Full article
(This article belongs to the Special Issue Feature Papers in Drug Discovery and Development)
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17 pages, 951 KiB  
Article
Two New βN-Alkanoyl-5-Hydroxytryptamides with Relevant Antinociceptive Activity
by Jorge Luis Amorim, Fernanda Alves Lima, Ana Laura Macedo Brand, Silvio Cunha, Claudia Moraes Rezende and Patricia Dias Fernandes
Biomedicines 2021, 9(5), 455; https://doi.org/10.3390/biomedicines9050455 - 22 Apr 2021
Cited by 9 | Viewed by 2345
Abstract
In this work, we describe a new route for the synthesis and the antinociceptive effects of two new βN-alkanoyl-5-hydroxytryptamides (named C20:0-5HT and C22:0-5HT). The antinociceptive activities were evaluated using well-known models of thermal-induced (reaction to a heated [...] Read more.
In this work, we describe a new route for the synthesis and the antinociceptive effects of two new βN-alkanoyl-5-hydroxytryptamides (named C20:0-5HT and C22:0-5HT). The antinociceptive activities were evaluated using well-known models of thermal-induced (reaction to a heated plate, the hot plate model) or chemical-induced (licking response to paw injection of formalin, capsaicin, or glutamate) nociception. The mechanism of action for C20:0-5HT and C22:0-5HT was evaluated using naloxone (opioid receptor antagonist, 1 mg/kg), atropine (muscarinic receptor antagonist, 1 mg/kg), AM251 (cannabinoid CB1 receptor antagonist, 1 mg/kg), or ondansetron (5-HT3 serotoninergic receptor antagonist, 0.5 mg/kg) 30 min prior to C20:0-5HT or C22:0-5HT. The substances both presented significant effects by reducing licking behavior induced by formalin, capsaicin, and glutamate and increasing the latency time in the hot plate model. Opioidergic, muscarinic, cannabinoid, and serotoninergic pathways seem to be involved in the antinociceptive activity since their antagonists reversed the observed effect. Opioid receptors are partially involved due to tolerant mice demonstrating less antinociception when treated with both compounds. Our data showed a quicker and simpler route for the synthesis of the new βN-alkanoyl-5-hydroxytryptamides. Both compounds demonstrated significant antinociceptive effects. These new compounds could be used as a scaffold for the synthesis of analogues with promising antinociceptive effects. Full article
(This article belongs to the Special Issue Feature Papers in Drug Discovery and Development)
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Review

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31 pages, 25399 KiB  
Review
Recent Advances in Biocatalysis for Drug Synthesis
by Alina Kinner, Philipp Nerke, Regine Siedentop, Till Steinmetz, Thomas Classen, Katrin Rosenthal, Markus Nett, Jörg Pietruszka and Stephan Lütz
Biomedicines 2022, 10(5), 964; https://doi.org/10.3390/biomedicines10050964 - 21 Apr 2022
Cited by 27 | Viewed by 7650
Abstract
Biocatalysis is constantly providing novel options for the synthesis of active pharmaceutical ingredients (APIs). In addition to drug development and manufacturing, biocatalysis also plays a role in drug discovery and can support many active ingredient syntheses at an early stage to build up [...] Read more.
Biocatalysis is constantly providing novel options for the synthesis of active pharmaceutical ingredients (APIs). In addition to drug development and manufacturing, biocatalysis also plays a role in drug discovery and can support many active ingredient syntheses at an early stage to build up entire scaffolds in a targeted and preparative manner. Recent progress in recruiting new enzymes by genome mining and screening or adapting their substrate, as well as product scope, by protein engineering has made biocatalysts a competitive tool applied in academic and industrial spheres. This is especially true for the advances in the field of nonribosomal peptide synthesis and enzyme cascades that are expanding the capabilities for the discovery and synthesis of new bioactive compounds via biotransformation. Here we highlight some of the most recent developments to add to the portfolio of biocatalysis with special relevance for the synthesis and late-stage functionalization of APIs, in order to bypass pure chemical processes. Full article
(This article belongs to the Special Issue Feature Papers in Drug Discovery and Development)
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12 pages, 547 KiB  
Review
Targeting PTB for Glia-to-Neuron Reprogramming In Vitro and In Vivo for Therapeutic Development in Neurological Diseases
by Matilde Contardo, Roberta De Gioia, Delia Gagliardi, Giacomo Pietro Comi, Linda Ottoboni, Monica Nizzardo and Stefania Corti
Biomedicines 2022, 10(2), 399; https://doi.org/10.3390/biomedicines10020399 - 7 Feb 2022
Cited by 7 | Viewed by 3527
Abstract
In vivo cell reprogramming of glial cells offers a promising way to generate new neurons in the adult mammalian nervous system. This approach might compensate for neuronal loss occurring in neurological disorders, but clinically viable tools are needed to advance this strategy from [...] Read more.
In vivo cell reprogramming of glial cells offers a promising way to generate new neurons in the adult mammalian nervous system. This approach might compensate for neuronal loss occurring in neurological disorders, but clinically viable tools are needed to advance this strategy from bench to bedside. Recently published work has described the successful neuronal conversion of glial cells through the repression of a single gene, polypyrimidine tract-binding protein 1 (Ptbp1), which encodes a key RNA-binding protein. Newly converted neurons not only express correct markers but they also functionally integrate into endogenous brain circuits and modify disease symptoms in in vivo models of neurodegenerative diseases. However, doubts about the nature of “converted” neurons, in particular in vivo, have been raised, based on concerns about tracking reporter genes in converted cells. More robust lineage tracing is needed to draw definitive conclusions about the reliability of this strategy. In vivo reprogramming and the possibility of implementing it with approaches that could be translated into the clinic with antisense oligonucleotides targeting a single gene like Ptbp1 are hot topics. They warrant further investigation with stringent methods and criteria of evaluation for the ultimate treatment of neurological diseases. Full article
(This article belongs to the Special Issue Feature Papers in Drug Discovery and Development)
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11 pages, 442 KiB  
Review
Study Designs for Evaluation of Combination Treatment: Focus on Individual Patient Benefit
by Martin C. Michel and David Staskin
Biomedicines 2022, 10(2), 270; https://doi.org/10.3390/biomedicines10020270 - 26 Jan 2022
Cited by 5 | Viewed by 2768
Abstract
Combination treatment, i.e., the use of two or more drugs for the same condition, is frequent in medicine if monotherapy yields an insufficient therapeutic response. We review and challenge clinical study designs and formats of reporting outcomes for the evaluation of the benefit/risk [...] Read more.
Combination treatment, i.e., the use of two or more drugs for the same condition, is frequent in medicine if monotherapy yields an insufficient therapeutic response. We review and challenge clinical study designs and formats of reporting outcomes for the evaluation of the benefit/risk ratio of combination treatment over monotherapy. We demonstrate that benefits of combination treatment at the group level overestimate the probability of benefit at the single patient level based on outcome simulations under almost any imaginable setting. Based on these findings, we propose that studies testing combination treatment should always report on percentages of responders to monotherapy and combination treatment. We provide equations that allow the calculation of the percentage of patients truly benefitting from combination (responders to both monotherapies) and that of patients exposed to risk of harm from adverse effects without a reasonable expectation of individual benefit. These considerations are explained based on real clinical data, mostly from the field of functional urology (male lower urinary tract symptoms). Full article
(This article belongs to the Special Issue Feature Papers in Drug Discovery and Development)
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30 pages, 2041 KiB  
Review
The Role of Vitamins in Neurodegenerative Disease: An Update
by Sachchida Nand Rai, Payal Singh, Harry W.M. Steinbusch, Emanuel Vamanu, Ghulam Ashraf and Mohan Prasad Singh
Biomedicines 2021, 9(10), 1284; https://doi.org/10.3390/biomedicines9101284 - 22 Sep 2021
Cited by 58 | Viewed by 9036
Abstract
Acquiring the recommended daily allowance of vitamins is crucial for maintaining homeostatic balance in humans and other animals. A deficiency in or dysregulation of vitamins adversely affects the neuronal metabolism, which may lead to neurodegenerative diseases. In this article, we discuss how novel [...] Read more.
Acquiring the recommended daily allowance of vitamins is crucial for maintaining homeostatic balance in humans and other animals. A deficiency in or dysregulation of vitamins adversely affects the neuronal metabolism, which may lead to neurodegenerative diseases. In this article, we discuss how novel vitamin-based approaches aid in attenuating abnormal neuronal functioning in neurodegeneration-based brain diseases such as Alzheimer’s disease, Parkinson’s disease, Huntington’s disease, Amyotrophic lateral sclerosis, and Prion disease. Vitamins show their therapeutic activity in Parkinson’s disease by antioxidative and anti-inflammatory activity. In addition, different water- and lipid-soluble vitamins have also prevented amyloid beta and tau pathology. On the other hand, some results also show no correlation between vitamin action and the prevention of neurodegenerative diseases. Some vitamins also exhibit toxic activity too. This review discusses both the beneficial and null effects of vitamin supplementation for neurological disorders. The detailed mechanism of action of both water- and lipid-soluble vitamins is addressed in the manuscript. Hormesis is also an essential factor that is very helpful to determine the effective dose of vitamins. PubMed, Google Scholar, Web of Science, and Scopus were employed to conduct the literature search of original articles, review articles, and meta-analyses. Full article
(This article belongs to the Special Issue Feature Papers in Drug Discovery and Development)
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30 pages, 2226 KiB  
Review
Natural Photosensitizers in Antimicrobial Photodynamic Therapy
by Ece Polat and Kyungsu Kang
Biomedicines 2021, 9(6), 584; https://doi.org/10.3390/biomedicines9060584 - 21 May 2021
Cited by 130 | Viewed by 13255
Abstract
Health problems and reduced treatment effectiveness due to antimicrobial resistance have become important global problems and are important factors that negatively affect life expectancy. Antimicrobial photodynamic therapy (APDT) is constantly evolving and can minimize this antimicrobial resistance problem. Reactive oxygen species produced when [...] Read more.
Health problems and reduced treatment effectiveness due to antimicrobial resistance have become important global problems and are important factors that negatively affect life expectancy. Antimicrobial photodynamic therapy (APDT) is constantly evolving and can minimize this antimicrobial resistance problem. Reactive oxygen species produced when nontoxic photosensitizers are exposed to light are the main functional components of APDT responsible for microbial destruction; therefore, APDT has a broad spectrum of target pathogens, such as bacteria, fungi, and viruses. Various photosensitizers, including natural extracts, compounds, and their synthetic derivatives, are being investigated. The main limitations, such as weak antimicrobial activity against Gram-negative bacteria, solubility, specificity, and cost, encourage the exploration of new photosensitizer candidates. Many additional methods, such as cell surface engineering, cotreatment with membrane-damaging agents, nanotechnology, computational simulation, and sonodynamic therapy, are also being investigated to develop novel APDT methods with improved properties. In this review, we summarize APDT research, focusing on natural photosensitizers used in in vitro and in vivo experimental models. In addition, we describe the limitations observed for natural photosensitizers and the methods developed to counter those limitations with emerging technologies. Full article
(This article belongs to the Special Issue Feature Papers in Drug Discovery and Development)
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