cyclicpeptide: a Python package for cyclic peptide drug design DOI Creative Commons
Yang Liu, Suqi Cao, Lei Liu

и другие.

Briefings in Bioinformatics, Год журнала: 2024, Номер 26(1)

Опубликована: Ноя. 22, 2024

Abstract The unique cyclic structure of peptides grants them remarkable stability and bioactivity, making powerful candidates for treating various diseases. However, the lack standardized tools peptide data has hindered their potential in today’s artificial intelligence–driven efficient drug design landscape. To bridge this gap, here we introduce a Python package named cyclicpeptide specifically design. This provides such as Structure2Sequence, Sequence2Structure, format transformation to process, convert, standardize sequence data. Additionally, it includes GraphAlignment peptide–specific alignment search PropertyAnalysis enhance understanding drug-like properties applications. comprehensive suite aims streamline integration into modern discovery pipelines, accelerating development peptide–based therapeutics.

Язык: Английский

Artificial Intelligence in Pharmaceutical Technology and Drug Delivery Design DOI Creative Commons
Lalitkumar K. Vora, Amol D. Gholap, Keshava Jetha

и другие.

Pharmaceutics, Год журнала: 2023, Номер 15(7), С. 1916 - 1916

Опубликована: Июль 10, 2023

Artificial intelligence (AI) has emerged as a powerful tool that harnesses anthropomorphic knowledge and provides expedited solutions to complex challenges. Remarkable advancements in AI technology machine learning present transformative opportunity the drug discovery, formulation, testing of pharmaceutical dosage forms. By utilizing algorithms analyze extensive biological data, including genomics proteomics, researchers can identify disease-associated targets predict their interactions with potential candidates. This enables more efficient targeted approach thereby increasing likelihood successful approvals. Furthermore, contribute reducing development costs by optimizing research processes. Machine assist experimental design pharmacokinetics toxicity capability prioritization optimization lead compounds, need for costly animal testing. Personalized medicine approaches be facilitated through real-world patient leading effective treatment outcomes improved adherence. comprehensive review explores wide-ranging applications delivery form designs, process optimization, testing, pharmacokinetics/pharmacodynamics (PK/PD) studies. an overview various AI-based utilized technology, highlighting benefits drawbacks. Nevertheless, continued investment exploration industry offer exciting prospects enhancing processes care.

Язык: Английский

Процитировано

398

Revolutionizing drug formulation development: The increasing impact of machine learning DOI
Zeqing Bao,

Jack Bufton,

Riley J. Hickman

и другие.

Advanced Drug Delivery Reviews, Год журнала: 2023, Номер 202, С. 115108 - 115108

Опубликована: Сен. 27, 2023

Язык: Английский

Процитировано

52

Role of Fluid Dynamics in Infectious Disease Transmission: Insights from COVID-19 and Other Pathogens DOI Creative Commons
Soumyajit Koley

Trends in Sciences, Год журнала: 2024, Номер 21(8), С. 8287 - 8287

Опубликована: Июнь 1, 2024

The spread of infectious diseases such as COVID-19 depends on complex fluid dynamics interactions between pathogens and phases, including individual droplets multiphase clouds. Understanding these is crucial for predicting controlling disease spread. This applies to human animal exhalations, coughs sneezes, well bursting bubbles that create micron-sized in various indoor outdoor environments. By exploring case studies this regard, study examines the emerging field transmission, focusing flows, interfacial turbulence, pathogens, traffic, aerosol ventilation, breathing microenvironments. These results indicate increased ventilation rates local methods can effectively reduce concentration SARS-CoV-2-laden aerosols immediate spaces individuals. In a displacement-ventilated room, both neutral unstable conditions were more effective removing breathed from air, regardless presence test subjects. However, stable may increase risk infection individuals living confined spaces. Thus, findings are useful providing practical guidance managing airborne infections. HIGHLIGHTS Fluid affect transmission explored flow, dispersion, respiratory zones Increased SARS-CoV-2 Displacement eliminates under Cramped damp environments GRAPHICAL ABSTRACT

Язык: Английский

Процитировано

21

Towards artificial intelligence-enabled extracellular vesicle precision drug delivery DOI Creative Commons
Zachary Greenberg, Kiley Graim, Mei He

и другие.

Advanced Drug Delivery Reviews, Год журнала: 2023, Номер 199, С. 114974 - 114974

Опубликована: Июнь 24, 2023

Язык: Английский

Процитировано

39

Strategies of Artificial intelligence tools in the domain of nanomedicine DOI

Mohammad Habeeb,

Huay Woon You, Mutheeswaran Umapathi

и другие.

Journal of Drug Delivery Science and Technology, Год журнала: 2023, Номер 91, С. 105157 - 105157

Опубликована: Ноя. 10, 2023

Язык: Английский

Процитировано

27

The Artificial Intelligence-Powered New Era in Pharmaceutical Research and Development: A Review DOI
Phuvamin Suriyaamporn, Boonnada Pamornpathomkul, Prasopchai Patrojanasophon

и другие.

AAPS PharmSciTech, Год журнала: 2024, Номер 25(6)

Опубликована: Авг. 15, 2024

Язык: Английский

Процитировано

8

Emerging Trends in Bioinspired Superhydrophobic and Superoleophobic Sustainable Surfaces DOI Creative Commons

Cerys M. Cormican,

Sinem Bektaş,

Francisco J. Martín‐Martínez

и другие.

Advanced Materials, Год журнала: 2025, Номер unknown

Опубликована: Фев. 18, 2025

Abstract Inspired by nature's ability to master materials for performance and sustainability, biomimicry has enabled the creation of bioinspired structural color, superadhesion, hydrophobicity hydrophilicity, among many others. This review summarizes emerging trends in novel sustainable fluorocarbon‐free designs creating superhydrophobic superoleophobic surfaces. It discusses methods, challenges, future directions, alongside impact computational modeling artificial intelligence accelerating experimental development more surface materials. While significant progress is made materials, surfaces remain a challenge. However, bioinspiration techniques supported platforms are paving way new renewable biodegradable repellent that meet environmental standards without sacrificing performance. Nevertheless, despite concerns, policies, several still continue apply fluorination other environmentally harmful achieve required standard repellency. As discussed this critical review, paradigm integrates advanced characterization, nanotechnology, additive manufacturing, modeling, coming, generate with tailored superhydrophobicity superoleophobicity while adhering standards.

Язык: Английский

Процитировано

1

Toward the Integration of Machine Learning and Molecular Modeling for Designing Drug Delivery Nanocarriers DOI

Xuejiao J. Gao,

Krzesimir Ciura,

Yuanjie Ma

и другие.

Advanced Materials, Год журнала: 2024, Номер unknown

Опубликована: Сен. 10, 2024

Abstract The pioneering work on liposomes in the 1960s and subsequent research controlled drug release systems significantly advances development of nanocarriers (NCs) for delivery. This field is evolved to include a diverse array such as liposomes, polymeric nanoparticles, dendrimers, more, each tailored specific therapeutic applications. Despite significant achievements, clinical translation limited, primarily due low efficiency delivery an incomplete understanding nanocarrier interactions with biological systems. Addressing these challenges requires interdisciplinary collaboration deep nano‐bio interface. To enhance design, scientists employ both physics‐based data‐driven models. Physics‐based models provide detailed insights into chemical reactions at atomic molecular scales, while leverage machine learning analyze large datasets uncover hidden mechanisms. integration presents harmonizing different modeling approaches ensuring model validation generalization across However, this crucial developing effective targeted By integrating enhanced data infrastructure, explainable AI, computational advances, potentials, researchers can develop innovative nanomedicine solutions, ultimately improving outcomes.

Язык: Английский

Процитировано

7

Intravitreal therapeutic nanoparticles for age-related macular degeneration: Design principles, progress and opportunities DOI Creative Commons
Yuhang Zhang, Stephanie L. Watson, Yogambha Ramaswamy

и другие.

Advances in Colloid and Interface Science, Год журнала: 2024, Номер 329, С. 103200 - 103200

Опубликована: Май 21, 2024

Age-related macular degeneration (AMD) is a leading cause of vision loss in the elderly. The current standard treatment for AMD involves frequent intravitreal administrations therapeutic agents. While effective, this approach presents challenges, including patient discomfort, inconvenience, and risk adverse complications. Nanoparticle-based drug delivery platforms offer promising solution to overcome these limitations. These are engineered target retina specifically control release, which enhances retention, improves concentration bioavailability at retinal site, reduces frequency injections. This review aims uncover design principles guiding development highly effective nanoparticle-based treatment. By gaining deeper understanding physiology ocular barriers physicochemical properties nanoparticles, we establish basis designing nanoparticles optimize retention retina. Furthermore, recent strategies highlight their potential improving efficiency. Lastly, address challenges opportunities field, providing insights into future improve outcomes patients.

Язык: Английский

Процитировано

6

Clinical Pharmacology Perspective on Development of Adeno‐Associated Virus Vector‐Based Retina Gene Therapy DOI Creative Commons
Jennifer Lynn Ford, Eleni Karatza,

Hardik Mody

и другие.

Clinical Pharmacology & Therapeutics, Год журнала: 2024, Номер 115(6), С. 1212 - 1232

Опубликована: Март 7, 2024

Adeno-associated virus (AAV) vector-based gene therapy is an innovative modality being increasingly investigated to treat diseases by modifying or replacing defective genes expressing therapeutic entities. With its unique anatomic and physiological characteristics, the eye constitutes a very attractive target for therapy. Specifically, ocular space easily accessible generally considered "immune-privileged" with low risk of systemic side effects following local drug administration. As retina cells have limited cellular turnover, one-time delivery has potential provide long-term transgene expression. Despite initial success voretigene neparvovec (Luxturna), first approved therapy, there are still challenges be overcome successful clinical development these products scientific questions answered. The current review paper aims integrate published experience learned thus far AAV-based related preclinical translation; first-in-human dose selection; relevant bioanalytical assays strategies; considerations including trial design, biodistribution vector shedding, immunogenicity, expression, pediatric populations; opportunities model-informed development; regulatory perspectives. information presented herein intended serve as guide inform strategy focus on pharmacology.

Язык: Английский

Процитировано

5