Results 91 to 100 of about 169,844 (308)

In Silico Tools in PROTACs design

, 2023
PROTACs, as a highly promising new. therapeutic paradigm, have attracted widespread attention from the academic and pharmaceutical communities in recent years.
Wei, Mengman
core  

AI–Guided 4D Printing of Carnivorous Plants–Inspired Microneedles for Accelerated Wound Healing

Advanced Materials, EarlyView.
This work presents an artificial intelligence (AI)‐guided 4D‐printed microneedle platform inspired by carnivorous plants for wound healing. A thermo‐responsive shape memory polymer enables body temperature–triggered self‐coiling for autonomous wound closure.
Hyun Lee, Moon‐Jo Kim, DongEung Kim, Chan Ho Moon, Seojoon Bang, Hyeong Seok Kang, Ju Yeong Gwon, Jong Hwa Seo, Junhyub Jeon, Junhyuk Son, Munwon Lim, Minho Kang, Dong Yun Lee, Donghyun Lim, Jung‐Hoon Park, Gi Doo Cha, Soo‐Hong Lee, Tae‐Sik Jang, Kisuk Yang, Yunho Jeong, Youngho Eom, Hyun‐Do Jung   +21 more
wiley   +1 more source

The importance of in-silico studies in drug discovery

Intelligent Pharmacy
The use of in-silico research in drug development is growing. Aspects of drug discovery and development, such as virtual ligand screening and profiling, target and lead finding, and compound library creation, are simulated by computational approaches ...
Miah Roney, Mohd Fadhlizil Fasihi Mohd Aluwi   +1 more
doaj   +1 more source

Large‐Scale Determination of Frontier Orbital Energies of Disordered Small‐Molecule Organic Semiconductors Using Exciplex Emission Spectra

Advanced Materials, EarlyView.
ABSTRACT Accurately knowing the frontier orbital energies of the structurally disordered small‐molecule organic semiconductors that are used in optoelectronic devices such as organic light‐emitting diodes is required to rationally improve their performance. Here, we show that these energies can be deduced with a large accuracy from the peak energies of
Christian B. McDonald, Hiroki Tomita, Giacomo Cotelli, Louka L. Brüll, Nanno G. de Rooij, Lucas R.L. Norg, Milo Clément, Reinder Coehoorn   +7 more
wiley   +1 more source

QBP1 Peptide as a Potential Anti‐Amyloidogenic Therapy for Type 2 Diabetes: An In Vitro Study

Advanced Science, EarlyView.
The anti‐amyloidogenic peptide QBP1 effectively halts human islet amyloid polypeptide (hIAPP) aggregation, preventing the formation of toxic β‐structured intermediates. Through a combination of biophysical assays, molecular dynamics, and cell‐based studies, QBP1 is shown to preserve β‐cell viability and metabolic homeostasis, positioning it as a ...
María M. Tejero‐Ojeda, Ada Bernaus Vives, Michał Wojciechowski, Dinh Quoc Huy Pham, Mateusz Chwastyk, Mario Vallejo, Anna Novials, Douglas V. Laurents, Mariano Carrión‐Vázquez   +8 more
wiley   +1 more source

In-silico investigation of alpha-bisabolol and derivatives as inhibitors of bcl-2 family proteins for targeting glioblastoma

International Journal of Secondary Metabolite
Glioblastoma is one of the most common and destructive types of tumors, with an increasing number around the world. Alpha-bisabolol is a plant secondary metabolite with discovered anticancer activity, which can also be considered a potential treatment ...
Sibel Kaymak, Nilüfer Vural
doaj   +1 more source

Predicting implant UHMWPE wear in-silico: A robust, adaptable computational-numerical framework for future theoretical models

, 2011
Computational methods for the pre-clinical wear prediction for devices such as hip, knee or spinal implants are valuable both to industry and academia. Archard’s wear model laid the basis for the first generation of theoretical wear estimation algorithms,
M.A. Strickland, Taylor, M., Strickland, M.A., M.R. Dressler, Dressler, M.R., M. Taylor   +5 more
core   +1 more source

A Bifunctional T3SS‐Effector Simultaneously Cleaves Host MAP Kinase and Inhibits PPM1A Phosphatase

Advanced Science, EarlyView.
Pathogenic bacteria exploit the metalloprotease effector NleD to subvert host defenses. Structural, biochemical, and infection analyses reveal a bifunctional mechanism by which NleD binds and inhibits the host phosphatase PPM1A while preserving its proteolytic activity against MAPKs.
Yaakov Socol, Lihi Gur‐Arie, Netanel Tzarum, Tamara Wellins, Naama Katsowich, Miriam Ravins, Michal Bejerano‐Sagie, Klil Cohen, Oded Livnah, Joshua N. Adkins, Ernesto Nakayasu, Alexei Savchenko, Yeu Khai Choong, Nikhil Kumar Tulsian, Saturo Machida, Sigal Ben‐Yehuda, Yael Litvak, J. Sivaraman, Ilan Rosenshine   +18 more
wiley   +1 more source

In Silico Design of Novel Anticoagulant Peptides targeting Blood Coagulation Factor VIIa

Sultan Qaboos University Medical Journal, 2011
Objectives: The coagulation cascade initiated during vascular injury prevents bleeding. Unwanted clot formation is however detrimental and requires the use of anticoagulants for prophylaxis and treatment.
Manal S Q Al-Amri, Khalid Alrasadi, Riad Bayoumi, Yajnavalka Banerjee   +3 more
doaj  

Innovative Approaches in the Design of Flavonoid-Based Functional Foods for Pediatric Nutrition

Applied Food Research
This review presents a novel and application-oriented framework for the development of flavonoid-rich functional foods aimed at mitigating the adverse effects of chemo- and radiotherapy (particularly mucositis) in pediatric cancer patients.
María Paula Deaza-Fernández, Daniela Sarmiento-Soto, Maria Ximena Quintanilla-Carvajal   +2 more
doaj   +1 more source