Drug Design, Development and Therapy

Dove Medical Press is pleased to invite you to submit your research to an upcoming Article Collection on "Is CADD ready to take a leap in the light of AI? Where are we?" in Drug Design, Development and Therapy.

Artificial intelligence (AI) in a research domain represents the theory and the computer technology development that helps to model the physical reality of the phenomenon under study. AI is capable of solving complex problems with higher accuracy and efficiency, such as robust language models like GPT, 3D protein model prediction tools like AlphaFold, and defeating champions in a board game like AlphaGo etc. The success of AI is well appreciated in our day-to-day life as well as in corporate businesses. However, its impact on computer aided drug design (CADD) is still awaited.

The field of AI in CADD is in its initial stage, where the development of a smart machine is difficult with the amount of data available. Numerous machine learning (ML) models have been built by implementing neural networks (NN), deep neural network (DNN), convolutional NN etc. to predict drug properties, active inhibitors and pharmacophore, and protein-inhibitor affinity - but the accuracy and specificity remains limited due to insufficient data. Recently, AlphaFold2 has been very successful in CASP14 for the prediction of single domain protein structure with experimental resolution (~2Å), which will be of great assistance to structure-based drug design. However, improvement in feature design and novel machine learning approaches will be required for the advancement of ligand-based design and CADD in general.

There has been significant effort in deploying AI for drug prediction and its target recognition of diseases. AI-based methods such as machine learning and deep learning have revolutionized the field of drug discovery with new algorithms such as back propagation for update of weights, context capture by the use of attention layer, and transformer’s encoder-decoder architecture for input reconstruction. Combined bioinformatics and machine learning have shown great potential in drug target prediction and computer drug design by enabling the analysis of the available amount of biological data and predicting the potential interactions between drugs and their targets, such as cancer, Alzheimer's disease, and other neurological disorders. The endeavour to improve our understanding of the drugs, their targets, and the disease phenotype, is still on and we have yet to build the right tools to solve one of the most complicated question of the biological science.

The aim of this article collection is to publish articles related to AI assisted structure-based and ligand-based drug design under the subtopics mentioned below.
1. Current state and future development of novel small molecule design with desired physico-chemical properties/activities by implementing state of the art technique, AI assisted de novo design, synthesis, pharmacophore modelling, and toxicity prediction.
2. Current and future developments in novel drug target prediction and small molecule drug development through combined machine learning, bioinformatics and CADD technologies.
3. Current state and future development of novel feature/descriptor engineering and deep learning model building for protein inhibitor binding energy prediction.

Please note that any submissions based on in-silico research require to be validated using appropriate in vitro or in vivo methods as per the journal Aims and Scope requirements of Drug Design, Development and Therapy.

The deadline for submissions is 22 April 2024. Please review the journal’s aims and scope and author submission instructions prior to submitting a manuscript.

Please submit your manuscript on our website, quoting the promo code XRMJW to indicate that your submission is for consideration in this Article Collection.

Guest advisors

Zunnan Huang, Guangdong Medical University

[email protected]

Neshatul Haque, Medical College of Wisconsin

[email protected]

Ling Wang, South China University of Technology

[email protected]

Tejaswi Koduru Naidu, Rensselaer Polytechnic Institute 

[email protected]

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Dove Medical Press is pleased to invite you to submit your research to an upcoming Article Collection on "Therapeutic advances in adipose tissue dysfunction and bone health in obesity and insulin resistance", organized by Guest Advisors Prof. Antonio Brunetti, Dr. Maria Mirabelli and Assoc. Prof. Kok-Yong Chin in Drug Design, Development and Therapy.

The adipose tissue is a large and varied endocrine organ, consisting of different types of fat cells and other cell types (i.e., endothelial cells, fibroblasts, and immune cells) with unique secretory properties. It can influence almost every aspect of body function. In mammals, the adipose tissue grows and develops in utero in relation to maternal blood glucose levels, and if challenged after birth with overnutrition, it may continue to expand almost indefinitely, causing obesity and its attendant metabolic consequences, such as insulin resistance.

Although there are many hypothesized contributing factors to the development of insulin resistance in obesity (i.e., lipotoxicity, oxidative stress, inflammation, mitochondrial dysfunction, hypoxia), there is still no consensus about its aetiology. This is a significant problem because insulin resistance can have a major impact on the quality and expectancy of life for obese individuals. Insulin resistance plays a key role in the development of prevalent conditions such as type 2 diabetes, cardiovascular and reproductive disorders, metabolic syndrome, non-alcoholic fatty liver and cancer. Additionally, it can negatively impact bone health. Indeed, the hormones released by the adipose tissue, which are collectively called “adipokines”, participate to the complex regulation of bone physiology and integrity, and can interfere, either positively or negatively, with the insulin receptor signalling. Obesity and insulin resistance are associated with changes in the secretion of adipokines. The use of incretin-based (i.e., single, dual, or triple agonist) drugs to lose weight can improve the function of adipose tissue and the secretion of adipokines, potentially reducing the burden of obesity and insulin resistance on the healthcare system. However, it is unclear how and whether these drugs would change the way adipose tissue communicates with bone and other tissues that are sensitive to insulin, and whether this would revert insulin resistance.

Original research articles (i.e., clinical, preclinical and/or translational studies) and review articles focusing on the latest pharmacological advances for treating obesity, insulin resistance, and their related metabolic/health consequences are welcome for submission to this special issue. Particular emphasis will be placed on articles exploring the connection between adipose tissue dysfunction and bone health, as well as the modulation of weight-lowering drugs on this aspect.

All manuscripts submitted to this Article Collection will undergo desk assessment and peer-review as part of our standard editorial process. Guest Advisors for this collection will not be involved in peer-reviewing manuscripts unless they are an existing member of the Editorial Board. Please review the journal Aims and Scope and author submission instructions prior to submitting a manuscript.

The deadline for submissions is 30 April 2024.

Please submit your manuscript on our website, quoting the promo code IQLPK to indicate that your submission is for consideration in this Article Collection.

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Dove Medical Press is pleased to invite you to submit your research to an upcoming Article Collection on "Advances in design and development of ophthalmic drugs", organized by Guest Advisors Dr. Georgios D. Panos in Drug Design, Development and Therapy.

This Article Collection will focus on the latest advances in drug design and development for the treatment of various ophthalmic diseases and conditions.

Ophthalmic diseases, including glaucoma, age-related macular degeneration, diabetic retinopathy, and dry eye disease, are a significant public health concern, affecting millions of people worldwide. Despite the increasing availability of some effective treatments, there is still an unmet need for safe and even more effective drugs that can treat these conditions.

This Article Collection will bring together leading researchers and clinicians in the field to present their latest research on the design and development of ophthalmic drugs. Topics that will be covered in this special issue include but are not limited to:

- New drug delivery systems for ophthalmic drugs
- Advances in small molecule drug design and development for ophthalmic conditions
- Nanotechnology-based approaches for ocular drug delivery
- Pharmacokinetics and pharmacodynamics of ophthalmic drugs
- Design and development of sustained-release ophthalmic drug delivery systems
- Gene Therapy and novel biological therapies for the treatment of ocular diseases

We welcome submissions of original research articles and review articles that address any aspect of drug design and development for ophthalmic diseases. All submitted manuscripts will undergo a rigorous peer-review process to ensure the highest quality of the published papers.

This Article Collection will provide a valuable resource for researchers, clinicians, and pharmaceutical companies working in the field of ophthalmic drug design and development and will further advance the understanding of the current state of the art in ophthalmic drug research and help pave the way for the development of safe and effective treatments for ophthalmic diseases.

All manuscripts submitted to this Article Collection will undergo desk assessment and peer-review as part of our standard editorial process. Guest Advisors for this collection will not be involved in peer-reviewing manuscripts unless they are an existing member of the Editorial Board. Please review the journal Aims and Scope and author submission instructions prior to submitting a manuscript.

The deadline for submissions is 30 July 2024.

Please submit your manuscript on our website, quoting the promo code HMYJF to indicate that your submission is for consideration in this Article Collection.

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Dove Medical Press is pleased to invite you to submit your research to an upcoming Article Collection on "Beyond Monoclonal Antibodies: Cutting-Edge Approaches to Targeted Therapy" in Drug Design, Development and Therapy.

Monoclonal antibodies have revolutionized the development of targeted therapies, enabling the precise and selective targeting of disease biomarkers, leading to the development of more effective therapies. While over 100 monoclonal antibodies have been approved by the FDA, recent advancements in molecular engineering have greatly expanded the array of engineered proteins that have been approved by regulatory bodies or are currently being evaluated in clinical trials. As a result, the development of targeted therapies has become more versatile and sophisticated, offering new hope for patients with previously untreatable diseases.

This Article Collection aims to highlight the latest advancements in antibody and protein engineering, including design strategies, preclinical screening methods and their translation into clinical practice. Specifically, this Collection will cover:
1. Design and selection of synthetic binders, including but not limited to antibodies, affibodies, monobodies, nanobodies, adhirons, ubiquitin variants, DARPin, peptidomimetics, and cytokines.
2. Antibody engineering, such as the development of bispecific antibodies, antibody-drug conjugates, alternative modalities, and engineered Fc regions.
3. Genetically encoded protein degraders and their impact on targeted protein degradation.
4. From the bench to the bedside: showcasing therapeutic applications of novel biologics for the treatment of cancer, autoimmune diseases, and viral infections.
By highlighting the latest advancements in antibody and protein engineering, we hope to provide insights into how these innovations are changing the landscape of drug development and therapy.
This article collection in Drug Design, Development and Therapy invites various types of articles, such as:
• Research articles
• Review articles
• Systematic Reviews
• Mini reviews
• Clinical Studies
• Perspectives

The deadline for submissions is 16 April 2024. Please review the journal’s aims and scope and author submission instructions prior to submitting a manuscript.

Please submit your manuscript on our website, quoting the promo code ZLRGC to indicate that your submission is for consideration in this Article Collection.

Guest advisor

Gianluca Veggiani, Louisiana State University

[email protected]

Dr. Gianluca Veggiani is a Research Assistant Professor in nano-immunoengineering at the Department of Pathobiological Sciences of Louisiana State University. He joined the university in 2022 and his current work focuses on developing high-throughput methods for synthetic biology, vaccines, and novel cancer diagnostics and therapeutics. During his postdoctoral work at the University of Toronto, Dr. Veggiani developed molecular probes for detection and modulation of post-translational modifications and efficient gene editing. He also pioneered the development of molecular superglues for protein polymerization, enhanced T-cell activation, and sensitive circulating tumor cell isolation during his doctoral work at the University of Oxford.

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Dove Medical Press is pleased to invite you to submit your research to an upcoming Article Collection on "Beyond Brain Boundaries: Overcoming the Blood-Brain Barrier to Reach the Central Nervous System" in Drug Design, Development and Therapy.

The central nervous system (CNS) is the final frontier in drug delivery due to its intricate network of neurons and complex functions. Despite the increasing prevalence of CNS disorders worldwide, developing effective treatments remains challenging due to exorbitant costs, prolonged clinical pathways, and discouraging failure rates. The formidable barriers guarding the CNS, such as the blood-brain barrier and the blood-cerebrospinal fluid barrier, pose significant challenges, impeding the access of most drugs to their intended targets.

This Article Collection delves into the realm of drug design and explores innovative strategies and breakthrough materials designed to surmount these barriers, facilitating precise and controlled drug delivery to the CNS. The collection aims to unravel the enigma of the CNS by paving the way for transformative therapies that can revolutionize the treatment of neurological and neuropsychiatric disorders.

In addition to exploring innovative strategies and breakthrough materials for drug delivery to the CNS, this article collection also aims to investigate the interplay between neural substrates and non-invasive stimulation techniques. By understanding how different neural substrates interact and respond to non-invasive stimulation (i.e., transcranial magnetic stimulation), researchers aim to develop more targeted and effective therapeutic interventions. This interdisciplinary approach holds the potential to reinvent and rethink the treatment of neurological and neuropsychiatric disorders, offering new possibilities for improved patient outcomes.

Join us as we embark on a journey to uncover the secrets of the central nervous system and pave the way for transformative therapies that can bring about a paradigm shift in the management of neurological and neuropsychiatric conditions. We cordially invite authors to contribute original research and comprehensive review articles.

The deadline for submissions is 8 April 2024. Please review the journal’s aims and scope and author submission instructions prior to submitting a manuscript.

Please submit your manuscript on our website, quoting the promo code ZDTPN to indicate that your submission is for consideration in this Article Collection.

Guest advisors

Masaru Tanaka, ELKH-SZTE Neuroscience Research Group, University of Szeged (ELKH-SZTE)

[email protected]

Dr. Tanaka's scientific interests include depression, anxiety, dementia, pain, and their comorbidities nature, and translational research in neurological diseases and psychiatric disorders. He is ranked in D1 in Biological Sciences (98%) among Hungarian researchers. His articles have been ranked in the top 99.9 percentile in various fields. He is an editorial board member of Frontiers in Neuroscience, Frontiers in Psychiatry, Anesthesia Research, the Journal of Integrative Neuroscience, Advances in Clinical and Experimental Medicine, and Biomedicines.

Simone Battaglia, University of Bologna

[email protected]

Dr. Battaglia's research experience focuses on the functional interplay of different brain areas involved in emotional learning, action control, brain plasticity, decision-making, and a variety of cognitive tasks. To achieve this aim, his research activity mainly includes the use of non-invasive brain stimulation (i.e., TMS and tDCS), and the recording of different physiological measures using different neuroscientific techniques such as EEG, SCR, HRV, and EMG. He has conducted his research in both healthy individuals, studying intra- and inter-individual differences, and in patients with acquired brain injury. His approach integrates various techniques such as behavioral analysis, electrophysiology, and neurostimulation, aiming to develop groundbreaking therapeutic protocols through cortico-cortical paired associative stimulation (ccPAS). He is an active Editor of several peer-reviewed journals with impact factors.

Francesco Di Gregorio, University of Bologna

[email protected]

Dr Di Gregorio's scientific interests include psychophysiological correlates of consciousness and disorders of consciousness after severe acquired brain injury. Additionally, his work focused on how cognitive processes are implemented in the human brain, and on translational research in neurological diseases. He is an editorial board member of Advances in Clinical and Experimental Medicine.

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Dove Medical Press is pleased to invite you to submit your research to an upcoming Article Collection on "Using Innovative Drug Delivery Systems to Improve the Efficacy and Applicability of Poorly Water-soluble Drugs" in Drug Design, Development and Therapy.

Failure of the conventional delivery of poorly water-soluble drugs could be attributed to their low solubility and hence their limited bioavailability that hinder their pharmacological applications.

The improvement of drug solubility is of a critical concern in boosting the dissolution rate and bioavailability. Recently, different techniques have been used to increase the solubility and bioavailability of poorly water-soluble drugs.

Using novel drug delivery systems and nano-based drug delivery systems can improve their solubility. Moreover, many of these systems act as drug reservoirs that also improve the drug permeability and stability. Accordingly, these delivery systems are important in improving the efficacy and applicability of poorly water-soluble drugs.

Topics that will be covered in this Article Collection include but are not limited to:

• Novel drug delivery systems such as microemulsions, inclusion complexes, solid dispersions, cocrystals.
• Nano-based drug delivery systems like nanosuspensions, liposomes, niosomes, proniosomes, transfersomes, etc.
• Techniques to increase the solubility and bioavailability of poorly water-soluble drugs.

We welcome submissions of original research articles and review articles that address any aspect of design and development of innovative drug delivery systems to improve the efficacy and applicability of poorly water-soluble drugs. All submitted manuscripts will undergo a rigorous peer-review process to ensure the highest quality of the published papers.

The deadline for submissions is 13 May 2024. Please review the journal’s aims and scope and author submission instructions prior to submitting a manuscript.

Please submit your manuscript on our website, quoting the promo code KBOSG to indicate that your submission is for consideration in this Article Collection.

Guest advisors

Eman A. Mazyed, Department of pharmaceutical technology, Faculty of pharmacy, Kafrelsheikh University, Kafrelsheikh, Egypt

[email protected]

Kariman M. AbouElhassan, Department of Pharmaceutics, Faculty of Pharmacy, South Valley University, Qena, Egypt

[email protected]

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