Results 71 to 80 of about 77,593 (305)

Molecular investigation of antimicrobial peptides against Helicobacter pylori proteins using a peptide-protein docking approach

Heliyon
The impact of H. pylori resistance on patient's treatment failure is a major concern. Therefore, the development of novel or alternative therapies for H. pylori is urgently needed.
Alfizah Hanafiah, Siti Nur Arifah Abd Aziz, Zarith Nameyrra Md Nesran, Xavier Chee Wezen, Mohd Fadzli Ahmad   +4 more
doaj   +1 more source

Studies in molecular modeling, in vitro CDK2 inhibition and antimetastatic activity of some synthetic flavones

Frontiers in Bioscience-Landmark, 2020
Naturally occurring flavonoids have been shown to possess anticancer activity. We have previously shown that certain synthetic flavonoids also exert significant antiproliferative potential in MOLT-4, MCF-7, and HepG2 cell lines. To this end, we evaluated
Ojas S.Wagal, Akshada J. Joshi, Urmila J. Joshi, Heena R. Bhojwani, Khushboo V. Begwani, Harshank A. Dawne, Rajiv P. Gude, Sadhana S. Sathaye, Divya M. Kanchan   +8 more
doaj   +1 more source

Fructose‐Based Single‐Chain Polymer Nanoparticles for GLUT1–Mediated Delivery: Impact of Polymer Design on Uptake and In Vivo Performance

Advanced Healthcare Materials, EarlyView.
Single‐chain nanoparticles have been proposed as drug delivery carriers, but adding a tail can significantly enhance their performance. This was demonstrated using a tadpole‐like structure comprising a head prepared from a UV‐crosslinked fructose‐based glycopolymer capable of targeting GLUT receptors, combined with a PEG‐based tail. Compared with other
Hoang Yen Vo, Linqing Tian, Qiaoyun Wang, Evelyn Szabo, Rebecca Y. Lai, Fariba Dehghani, Martina H. Stenzel   +6 more
wiley   +1 more source

A Molecular Docking and Dynamics Simulation Study on Prevention of Merozoite Red Blood Cell Invasion by Targeting Plasmodium vivax Duffy Binding Protein with Zingiberaceae Bioactive Compounds

Uniciencia
[Objective] Plasmodium vivax predominantly infects many people in numerous tropical areas, including Southeast Asia, the Western Pacific, the Americas, and the Eastern Mediterranean.
Muhammad Fikri Heikal, Wira Eka Putra, Sustiprijatno, Arief Hidayatullah, Diana Widiastuti, Mardiana Lelitawati   +5 more
doaj   +1 more source

Ligand-Based Virtual Screening and Molecular Docking of Benzimidazoles as Potential Inhibitors of Triosephosphate Isomerase Identified New Trypanocidal Agents

, 2022
Trypanosoma cruzi (T. cruzi) is a parasite that affects humans and other mammals. T. cruzi depends on glycolysis as a source of adenosine triphosphate (ATP) supply, and triosephosphate isomerase (TIM) plays a key role in this metabolic pathway.
Mendez-Alvarez, Domingo, Gaona-Lopez, Carlos, Timoteo Delgado-Maldonado, Vazquez-Jimenez, Lenci K., Isidro Palos, Rogelio Gómez-Escobedo, Ramirez-Moreno, Esther, Benjamín Nogueda-Torres, Lenci K. Vázquez-Jiménez, Debasish Bandyopadhyay, Rivera, Gildardo, Palos, Isidro, Domingo Méndez-Álvarez, Alfredo Juárez-Saldivar, Gomez-Escobedo, Rogelio, Nogueda-Torres, Benjamin, Gildardo Rivera, Bandyopadhyay, Debasish, Esther Ramírez-Moreno, Delgado-Maldonado, Timoteo, Eyra Ortiz-Pérez, Ortiz-Perez, Eyra, Carlos Gaona-Lopez, Juarez-Saldivar, Alfredo   +23 more
core   +1 more source

New‐Era Polymer Thermoelectrics: Material Innovations, Doping Frontiers, Decoupling Strategies, and Unconventional Applications

Advanced Materials, EarlyView.
The field of polymer thermoelectrics is entering a new era, featuring breakthroughs in addressing the conventional performance disparity between p‐type and n‐type polymers, pioneering doping frontiers, and sophisticated decoupling strategies. This review explores innovations in molecular design and superior stabilities, bridging the gap from ...
Suhao Wang
wiley   +1 more source

Improving the resolution of interaction maps: A middleground between high-resolution complexes and genome-wide interactomes [PDF]

, 2013
Protein-protein interactions are ubiquitous in Biology and therefore central to understand living organisms. In recent years, large-scale studies have been undertaken to describe, at least partially, protein-protein interaction maps or interactomes for a
Mora, Joan Segura
core  

Unraveling the Role of Scutellaria baicalensis for the Treatment of Breast Cancer Using Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation

, 2023
Scutellaria baicalensis is often used to treat breast cancer, but the molecular mechanism behind the action is unclear. In this study, network pharmacology, molecular docking, and molecular dynamics simulation are combined to reveal the most active ...
Chengcheng Shi, Yanqi Jiao, Yao Sun
core   +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

Computer-aided identification of Trypanosoma brucei uridine diphosphate galactose 4'-epimerase inhibitors : toward the development of novel therapies for African sleeping sickness [PDF]

, 2010
Trypanosoma brucei, the causative agent of human African trypanosomiasis, affects tens of thousands of sub-Saharan Africans. As current therapeutics are inadequate due to toxic side effects, drug resistance, and limited effectiveness, novel therapies are
Michael A. J. Ferguson, Durrant, Jacob D., Ferguson, Michael A. J., Jacob D. Durrant, Ferguson, Michael A. J.; id_orcid, Michael D. Urbaniak, McCammon, J. Andrew, Urbaniak, Michael D., J. Andrew McCammon   +8 more
core   +1 more source