Results 71 to 80 of about 21,527 (243)

An Alternative Approach to Computational Peptidology Based on Conceptual DFT and Empirical Bioactivity Scores

, 2019
This work presents the results of a study of the global and local chemical reactivity of the antineoplastic Elisidepsin and Plitidepsin marine drugs based on the calculation of descriptors coming from Conceptual DFT for their consideration as a tool to explain the molecular interactions, and as a useful complement to those approximations based on ...
openaire   +1 more source

Spatially Controlled Embedded Bioprinting of Prevascularized Spheroids‐Containing Biopatch Enables Functional Skin Regeneration

Advanced Healthcare Materials, EarlyView.
A spatially controlled embedded bioprinting strategy enables precise engineering of prevascularized multicellular spheroids within skin‐derived dECM bioinks. Optimized spheroid size, composition, and spacing promote vascular maturation, paracrine signaling, and tissue integration, resulting in enhanced angiogenesis, blood perfusion, and functional skin
Minjun Ahn, Gyu Tae Park, Dongjun Lee, Sik Yoon, Sae‐Ock Oh, Jae Ho Kim, Byoung Soo Kim   +6 more
wiley   +1 more source

Investigation of Therapeutic Potential of Nine Medicinal Plants Against Human Estrogen Receptor Alpha Enzymes: In Silico Study [PDF]

Journal of Advanced Pharmacy Research
Objective: Breast cancer remains the second leading cause of cancer-related deaths among women despite substantial research efforts and advancements in drug development, this study seeks to identify potent therapeutic compounds derived from nine ...
Riswat Musbau, Taiwo Olaide
doaj   +1 more source

Advancing Human Skin Equivalents: The Crucial Role of Neurovascular Integration

Advanced Healthcare Materials, EarlyView.
This review discusses the importance of integrating vascular and peripheral nerve systems into human skin equivalents (HSEs) to better recapitulate native skin physiology. Recent advances in vascularized, innervated, and neurovascularized HSEs are highlighted, together with emerging bioengineering strategies, current challenges, and future ...
Hao Wu, Lorenzo Moroni, Nicolas Lebonvallet, Vincent Flacher, Paul Wieringa   +4 more
wiley   +1 more source

Historeceptomic fingerprints for drug-like compounds

Frontiers in Physiology, 2015
Most drugs exert their beneficial and adverse effects through their combined action on several different molecular targets (polypharmacology). The true molecular fingerprint of the direct action of a drug has two components: the ensemble of all the ...
Evgeny eShmelkov, Arsen eGrigoryan, James eSwetnam, Junyang eXin, Doreen eTivon, Sergey eShmelkov, Sergey eShmelkov, Timothy eCardozo   +7 more
doaj   +1 more source

GDNF‐Enriched Small Extracellular Vesicle‐Loaded ROS‐Scavenging Hydrogel Promotes Neural Regeneration After Spinal Cord Injury

Advanced Healthcare Materials, EarlyView.
A glial cell line‐derived neurotrophic factor (GDNF)‐enriched small extracellular vesicle‐loaded reactive oxygen species (ROS)‐scavenging hydrogel integrates sustained neurotrophic delivery with local modulation of oxidative and inflammatory stress after spinal cord injury. The composite hydrogel improves local vesicle retention, protects neural tissue,
Xingyu Zhu, Zhong Liu, Kewei Li, Yuhong Fan, Kangjia Yang, Xiaopeng Sun, Hang Shi, Lixuan Sun, Yang Lou, Min Wang, Peipei Wu, Hui Qian, Qiang Fu, Hua Ding   +13 more
wiley   +1 more source

Design, synthesis, and evaluation of 1,4-benzothiazine-3-one containing bisamide derivatives as dual inhibitors of Staphylococcus aureus with plausible application in a urinary catheter

Frontiers in Chemistry
In this study, 1,4-benzothiazine-based bisamide derivatives, a new class of antibacterial agents targeting bacterial peptide deformylase (PDF), were designed and synthesized to combat Staphylococcus aureus infection.
Kaushal Naithani, Arka Das, Mamta Ushare, Subham Nath, Subham Nath, Rashmita Biswas, Rashmita Biswas, Anirban Kundu, Kazi Tawsif Ahmed, Utpal Mohan, Utpal Mohan, Subhendu Bhowmik   +11 more
doaj   +1 more source

An Antimicrobial, Cell‐Adhesive, and Growth Factor‐Producing Living Material Engineered From Bacillus subtilis Biofilms for Wound Healing

Advanced Healthcare Materials, EarlyView.
Bacillus subtilis is engineered to produce cell‐adhesive biofilms by functionalization of its biofilm scaffold protein TasA with a cell‐adhesion sequence. Living bacteria within the biofilm are also engineered to secrete growth factors and natively produce antimicrobial peptides (AMPs), resulting in a cell‐adhesive, antimicrobial, and growth factor ...
Mélanie Côté‐Cyr, Marie‐Jeanne Archambault, Caroline Dupuis, Steve Bourgault   +3 more
wiley   +1 more source

Application of generative adversarial networks (GAN) and reinforcement learning in drug classification

Discover Computing
MolGAN is a generative adversarial network (GAN) model specially designed for molecular graph structures. It uses a graph convolutional network (GCN) as the discriminator and combines a reinforcement learning mechanism to optimize the generator.
Ling Qiu, Jingnian He, Xiongbo Huang
doaj   +1 more source

Combination of Gemcitabine with Cell-Penetrating Peptides: A Pharmacokinetic Approach Using In Silico Tools

Biomolecules, 2019
Gemcitabine is an anticancer drug used to treat a wide range of solid tumors and is a first line treatment for pancreatic cancer. Our group has previously developed novel conjugates of gemcitabine with cell-penetrating peptides (CPP), and here we report
Abigail Ferreira, Rui Lapa, Nuno Vale
doaj   +1 more source