Results 91 to 100 of about 277,604 (297)
In Silico Approaches for Rational Drug Design and Potential Enzyme Inhibitors Discovery: A Mini-Review [PDF]
Journal of Advanced Biomedical SciencesThe field of drug design has undergone remarkable advancements with the advent of in silico methods, which utilize computational approaches that accelerate the discovery and development of novel therapeutics.
Morteza Sadeghi +2 more
doaj
Assessing molecular docking tools: understanding drug discovery and design
Future Journal of Pharmaceutical SciencesBackground In this twenty-first century, artificial intelligence and computational-based studies, i.e., pharmaceutical biotechnology, are more important in every field, even in the field of drug discovery, design, and development, and they should be for ...
Harendar Kumar Nivatya +8 more
doaj +1 more source
Target identification of HIV related ganoderic acids using molecular docking / Rahmad Akbar [PDF]
, 2011 Four Ganoderic acids (á, B, C1 H) were studied using molecular docking approach. Both reverse molecular docking and molecular docking were combined to elucidate suitable target(s) for these Ganoderic acids. Outcomes from molecular docking were compared
Akbar, Rahmad
core
Photothermal‐Activated Antibacterial Amyloid‐Polyphenol‐Iron Hydrogels for Synergistic Wound Healing
Advanced Healthcare Materials, EarlyView.We report a thermally triggered supramolecular hydrogel (LTFe) formed by Fe3+ and tannic acid on lysozyme amyloid fibrils. Fe3+ enables rapid gelation and photothermal transduction with an efficiency of 88.56%. The LTFe hydrogel exhibits excellent biocompatibility, potent antibacterial activity against E. coli and S.
Di Wu +8 more
wiley +1 more source
Protein Docking mit weichen Volumenmodellen
, 2003 Neumann S. Soft volume models for protein-protein docking. Bielefeld (Germany): Bielefeld University; 2003.Der Begriff "Protein Docking" beschreibt die Frage, ob und wie zwei gegebene Proteine interagieren, ausgehend von der 3D Struktur.
Neumann, Steffen
core
Scoring functions and enrichment : a case study on Hsp90
, 2007 This work was funded by the EPSRC, InsightFaraday (now part of the Chemistry Innovation Knowledge Transfer Network), Arrow Therapeutics Ltd and Unilever plc.Background: The need for fast and accurate scoring functions has been driven by the increased use
Chrysi Konstantinou-Kirtay +8 more
core +1 more source
Advanced Healthcare Materials, EarlyView.This study investigates the M13 bacteriophage as a biomimetic nanovector capable of crossing in vitro models of the blood–brain barrier. By exploiting peculiar transcellular pathways, M13 avoids lysosomal degradation and preserves its structural integrity and functionality.
Silvia Vercellino +12 more
wiley +1 more source
Trans-Disciplinary Protein Binding Of Drug: Docking Approach
, 2011 The purpose of present work is to introduce the binding of existing drugs to the trans-disciplinary protein with the help of docking procedures. Docking procedures allows virtually screening a database of compounds and predict the strongest binder based ...
Ajeet Ajeet
core
Mixed-model QSAR at the glucocorticoid and liver X receptors [PDF]
, 2009 The presence of hormonally active compounds in the biosphere has become a worldwide environmental concern, and measures such as policy acts and regulations try to address the problem, both in Europe and in the United States.
Spreafico, Morena
core +1 more source
Advanced Healthcare Materials, EarlyView.We develop a covalent organic framework‐loaded Traditional Chinese Medicine monomer nanodrug delivery system (ISL@bCOF) via boron‐oxygen bonds, a smart response to glucose for delivering AI‐driven isoliquiritigenin (ISL) targeting ZBP1. This dynamic release mechanism, combined with transdermal delivery technology via potent microneedles, can modulate ...
Menghan Zhou +9 more
wiley +1 more source