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Molecular Biology in Drug Design and Precision Therapy
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Molecular Biology in Drug Design and Precision Therapy

A special issue of Current Issues in Molecular Biology (ISSN 1467-3045). This special issue belongs to the section "Molecular Pharmacology".

Deadline for manuscript submissions: 31 December 2024 | Viewed by 2422

Special Issue Editors

Dr. Cristina Manuela Dragoi

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Guest Editor
Department of Biochemistry, Faculty of Pharmacy, Carol Davila University of Medicine and Pharmacy, 020956 Bucharest, Romania
Interests: nutrition; drug design; drugs mechanisms of action; nutrients-drug interactions; precision medicine; biological drugs; chronobiology; pharmacogenomics
Special Issues, Collections and Topics in MDPI journals
Dr. Ion-Bogdan Dumitrescu

E-Mail Website
Guest Editor
Faculty of Pharmacy, University of Medicine and Pharmacy “Carol Davila”, 020956 Bucharest, Romania
Interests: pharmaceutical 3D printing; computer-aided design; clinical pharmacy
Special Issues, Collections and Topics in MDPI journals
Dr. Alina Crenguța Nicolae

E-Mail Website
Guest Editor
Faculty of Pharmacy, University of Medicine and Pharmacy “Carol Davila”, 020956 Bucharest, Romania
Interests: biochemistry; nutrition; drug resistance; P-glycoprotein; neuroscience; clinical research; personalized medicine
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The realm of drug design is currently at the core of a remarkable transformation, marked by the exploration of groundbreaking approaches that exceed conventional norms and expectations. Central to this evolution is a comprehensive grasp of the molecular underpinnings that drive various diseases, coupled with the continuous refinement and advancement of cutting-edge tools and technologies. Drawing upon insights from disciplines such as molecular biology, computational chemistry, and bioinformatics, researchers are equipped with sophisticated means to delve into the intricate mechanisms of biological systems in order to better understand the genesis and development of diseases and to foster tailored interventions that target specific molecular pathways. This integration of diverse scientific fields not only enhances our understanding of disease processes but also expands the horizons of drug design, paving the way for the creation of more effective and precisely targeted therapies. Thus, the current era of drug design represents a convergence of scientific ingenuity and technological innovation, meant to revolutionize the landscape of modern medicine.

The Special Issue "Molecular Biology in Drug Design and Precision Therapy" aims to explore the interplay between molecular biology and the development of novel therapeutic strategies, with a particular focus on precision medicine. In biomedical research, molecular biology has a tremendous role in elucidating the fundamental mechanisms implicated in disease pathogenesis, simplifying the road to targeted therapies tailored to individual patients.

This Special Issue invites contributions that explore the molecular intricacies of disease processes, encompassing a wide array of topics such as molecular signaling pathways, gene expression regulation, protein interactions, and cellular mechanisms implicated in disease progression. Emphasizing the molecular level of investigation, manuscripts are encouraged to elucidate the molecular targets of therapeutic interventions, as well as mechanisms of drug action and resistance, and explore the potential of precision medicine approaches to optimize treatment outcomes. Furthermore, this Special Issue seeks to showcase cutting-edge methodologies and technologies utilized in molecular biology research, including next-generation sequencing, transcriptomics, proteomics, metabolomics, and computational modeling. Through a comprehensive understanding of molecular mechanisms, this Special Issue aims to drive advancements in drug discovery, development, and personalized therapy, ultimately translating molecular insights into improved clinical outcomes for patients.

Contributions from researchers across diverse disciplines, including molecular biology, pharmacology, biochemistry, and biotechnology, are welcome, to foster interdisciplinary dialogue and innovation in the field of drug design and precision therapy, and we further invite scientists and drug specialists to publish their original research works, review articles, and communications on this wide health domain.

Dr. Cristina Manuela Dragoi
Dr. Ion-Bogdan Dumitrescu
Dr. Alina Crenguța Nicolae
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. Current Issues in Molecular Biology 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 2200 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

  • molecular biology
  • drug design
  • molecular targets
  • disease mechanisms
  • structural biology
  • computational chemistry
  • pharmacology
  • precision medicine
  • molecular pathways
  • personalized therapy
  • drug research

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Published Papers (2 papers)

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Research

17 pages, 1113 KiB  
Article
Using Precision Medicine to Disentangle Genotype–Phenotype Relationships in Twins with Rett Syndrome: A Case Report
by Jatinder Singh, Georgina Wilkins, Ella Goodman-Vincent, Samiya Chishti, Ruben Bonilla Guerrero, Federico Fiori, Shashidhar Ameenpur, Leighton McFadden, Zvi Zahavi and Paramala Santosh
Curr. Issues Mol. Biol. 2024, 46(8), 8424-8440; https://doi.org/10.3390/cimb46080497 - 2 Aug 2024
Viewed by 850
Abstract
Rett syndrome (RTT) is a paediatric neurodevelopmental disorder spanning four developmental stages. This multi-system disorder offers a unique window to explore genotype–phenotype relationships in a disease model. However, genetic prognosticators of RTT have limited clinical value due to the disorder’s heterogeneity on multiple [...] Read more.
Rett syndrome (RTT) is a paediatric neurodevelopmental disorder spanning four developmental stages. This multi-system disorder offers a unique window to explore genotype–phenotype relationships in a disease model. However, genetic prognosticators of RTT have limited clinical value due to the disorder’s heterogeneity on multiple levels. This case report used a precision medicine approach to better understand the clinical phenotype of RTT twins with an identical pathogenic MECP2 mutation and discordant neurodevelopmental profiles. Targeted genotyping, objective physiological monitoring of heart rate variability (HRV) parameters, and clinical severity were assessed in a RTT twin pair (5 years 7 months old) with an identical pathogenic MECP2 mutation. Longitudinal assessment of autonomic HRV parameters was conducted using the Empatica E4 wristband device, and clinical severity was assessed using the RTT-anchored Clinical Global Impression Scale (RTT-CGI) and the Multi-System Profile of Symptoms Scale (MPSS). Genotype data revealed impaired BDNF function for twin A when compared to twin B. Twin A also had poorer autonomic health than twin B, as indicated by lower autonomic metrics (autonomic inflexibility). Hospitalisation, RTT-CGI-S, and MPSS subscale scores were used as measures of clinical severity, and these were worse in twin A. Treatment using buspirone shifted twin A from an inflexible to a flexible autonomic profile. This was mirrored in the MPSS scores, which showed a reduction in autonomic and cardiac symptoms following buspirone treatment. Our findings showed that a combination of a co-occurring rs6265 BDNF polymorphism, and worse autonomic and clinical profiles led to a poorer prognosis for twin A compared to twin B. Buspirone was able to shift a rigid autonomic profile to a more flexible one for twin A and thereby prevent cardiac and autonomic symptoms from worsening. The clinical profile for twin A represents a departure from the disorder trajectory typically observed in RTT and underscores the importance of wider genotype profiling and longitudinal objective physiological monitoring alongside measures of clinical symptoms and severity when assessing genotype–phenotype relationships in RTT patients with identical pathogenic mutations. A precision medicine approach that assesses genetic and physiological risk factors can be extended to other neurodevelopmental disorders to monitor risk when genotype–phenotype relationships are not so obvious. Full article
(This article belongs to the Special Issue Molecular Biology in Drug Design and Precision Therapy)
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15 pages, 1425 KiB  
Article
The Promising Effect of Ascorbic Acid and Paracetamol as Anti-Biofilm and Anti-Virulence Agents against Resistant Escherichia coli
by Sara M. Eltabey, Ali H. Ibrahim, Mahmoud M. Zaky, Adel Ehab Ibrahim, Yahya Bin Abdullah Alrashdi, Sami El Deeb and Moustafa M. Saleh
Curr. Issues Mol. Biol. 2024, 46(7), 6805-6819; https://doi.org/10.3390/cimb46070406 - 2 Jul 2024
Cited by 1 | Viewed by 1332
Abstract
Escherichia coli is a major cause of serious infections, with antibiotic resistance rendering many treatments ineffective. Hence, novel strategies to combat this pathogen are needed. Anti-virulence therapy is a promising new approach for the subsequent era. Recent research has examined the impact of [...] Read more.
Escherichia coli is a major cause of serious infections, with antibiotic resistance rendering many treatments ineffective. Hence, novel strategies to combat this pathogen are needed. Anti-virulence therapy is a promising new approach for the subsequent era. Recent research has examined the impact of sub-inhibitory doses of ascorbic acid and paracetamol on Escherichia coli virulence factors. This study evaluated biofilm formation, protease production, motility behavior, serum resistance, expression of virulence-regulating genes (using RT-PCR), and survival rates in a mouse model. Ascorbic acid significantly reduced biofilm formation, protease production, motility, and serum resistance from 100% in untreated isolates to 22–89%, 10–89%, 2–57%, and 31–35% in treated isolates, respectively. Paracetamol also reduced these factors from 100% in untreated isolates to 16–76%, 1–43%, 16–38%, and 31–35%, respectively. Both drugs significantly down-regulated virulence-regulating genes papC, fimH, ompT_m, stcE, fliC, and kpsMTII. Mice treated with these drugs had a 100% survival rate compared with 60% in the positive control group control inoculated with untreated bacteria. This study highlights the potential of ascorbic acid and paracetamol as anti-virulence agents, suggesting their use as adjunct therapies alongside conventional antimicrobials or as alternative treatments for resistant Escherichia coli infections. Full article
(This article belongs to the Special Issue Molecular Biology in Drug Design and Precision Therapy)
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