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#1Pharmacophore - Wikipedia
A pharmacophore is an abstract description of molecular features that are necessary for molecular recognition of a ligand by a biological macromolecule.
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#2Pharmacophore - an overview | ScienceDirect Topics
Pharmacophore is defined as a 3D arrangement of the functional molecule, which is crucial to attach or bind to an active site of an enzyme or molecule.
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#3Pharmacophore Models and Pharmacophore-Based Virtual ...
由 T Kaserer 著作 · 2015 · 被引用 103 次 — A pharmacophore feature describes abstract chemical functionalities rather than specific functional groups. Additionally, pharmacophore models only demand local ...
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#4Pharmacophore | SpringerLink
In general terms, a pharmacophore is best defined as the arrangement of those substructures or functional groups in an active compound that are ...
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#5An Improved Receptor-Based Pharmacophore Generation ...
由 G He 著作 · 2018 · 被引用 7 次 — Pharmacophore-based virtual screening is an important and leading compound discovery method. However, current pharmacophore generation ...
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#6Structure based pharmacophore modeling, virtual screening ...
Pharmacophore is a group of steric and electronic features that confirm optimal supramolecular interactions during virtual screening on large ...
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#7Pharmacophore and Ligand-Based Design - BIOVIA
BIOVIA Discovery Studio utilizes the CATALYST Pharmacophore Modeling and Analysis toolset to assist in de novo drug design, multi-target drug design and ...
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#8Applications of the Pharmacophore Concept in Natural ...
2020年6月24日 — Abstract Pharmacophore-based techniques are nowadays an important part of many computer-aided drug design workflows and have been ...
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#9QPHAR: quantitative pharmacophore activity relationship
Nevertheless, these pharmacophore fields are derived from molecules and a pure quantitative algorithm applied on pharmacophores has never been ...
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#10Pharmacophore modeling: advances, limitations, and current ...
Often the long definition is simplified to “A pharmacophore is the pattern of features of a molecule that is responsible for a biological effect ...
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#11Pharmacophore based search - generating new ideas in drug ...
A pharmacophore is a spatial collection of steric and electronic features which are necessary to a molecule's interactions.
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#12AutoPH4: An Automated Method for Generating ...
Pharmacophore models are widely used in computational drug discovery (e.g., in the virtual screening of drug molecules) to capture essential ...
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#13Pharmacophore Models Derived from Molecular Dynamics ...
Keywords: Molecular Dynamics Simulation, Pharmacophore Modeling, Protein-Ligand Flexibility, Structure-based Modeling. Pharmacophore models are defined as the ...
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#14Pharmacophore: home
The Pharmacophore is a broad-spectrum, peer-reviewed An International Research Journalwelcomes original contributions of fundamental research in all the ...
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#15Ligand-Based Pharmacophore Detection and Screening of ...
Three-dimensional pharmacophore hypothesis was built based on a set of known Protein tyrosine Phosphatase 1B (PTP1B) agonists using PharmaGist program to u.
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#16Topic: Pharmacophore
Definition: A Pharmacophore is an ensemble of steric, electrostatic and hydrophobic properties which is essential for optimal supramolecular interactions with a ...
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#17Pharmacophore modeling | In Silico Drug Discovery and Design
The pharmacophore model is created first by translating protein–ligand interactions from a 3D macromolecule–ligand complex into a chemical ...
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#18Lecture 1 Pharmacophores & Molecular Similarity
(A pharmacophore does not represent a real molecule or a real association of functional groups, but a purely abstract concept that accounts for the.
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#19Pharmacophores and Pharmacophore Searches
A structure-based pharmacophore model was built using the software MOE to allow the screening of an impressive 3.6 million compound database.
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#20Pharmacophore Perception, Development, and Use in Drug Design
Use of Shape versus Pharmacophore versus Merged Pharmacophore / Shape Queries .. 223 12.3.4 . The Significance of Training Set Selection : Using Similar ...
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#21A pharmacophore query is comprised of... - ResearchGate
It projected that a pharmacophore is the collection of features known steric and electronic that are original to ensuring the mainly desirable supramolecular ...
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#22Ligand-Based Pharmacophore Modeling Using Novel 3D ...
Pharmacophore modeling is a widely used strategy for finding new hit molecules. Since not all protein targets have available 3D structures, ligand-based ...
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#23Pharmacophore modeling and applications in drug discovery
Pharmacophore approaches have been used extensively in virtual screening, de novo design and other applications such as lead optimization and ...
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#24The first pharmacophore model for potent NF-κB inhibitors
The five pharmacophore features of Hypo1, including three hydrophobic groups, one hydrogen-bond acceptor, and one hydrophobic aromatic group, were correctly ...
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#25What is Pharmacophore | IGI Global
What is Pharmacophore? Definition of Pharmacophore: A set of structural features in a molecule that is recognized at the receptor site and is responsible ...
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#26Pharmacophore-driven identification of N-methyl-D-receptor ...
Pharmacophore -driven identification of N-methyl-D-receptor antagonists as potent neuroprotective agents validated using in vivo studies. Mukta ...
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#27the benefits and challenges of protein structure-based ...
A pharmacophore describes the arrangement of molecular features a ligand must contain to efficaciously bind a receptor. Pharmacophore models ...
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#28Pharmacophore - Explore the Science & Experts | ideXlab
Three-dimensional (3D) Pharmacophore modeling is a technique for describing the interaction of a small molecule ligand with a macromolecular target.
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#29pharmACOphore | University of Tübingen
Our new approach pharmACOphore for pairwise as well as multiple flexible alignment of ligands is based on ant colony optimization (ACO).
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#30A Linear Combination of Pharmacophore Hypotheses ... - PLOS
A pharmacophore model (also called a pharmacophore hypothesis) is one of the most important concepts in medicinal chemistry.
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#313D-Pharmacophore Based Diversity Library - ChemDiv
Set of small-molecule compounds with high diversity in terms of potential pharmacophore points.
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#32Pharmacophore | Scientific.Net
The pharmacophore features for molecular docking simulation was obtained from Protein-Ligand Interaction Fingerprint (PLIF) analysis using eight α-glucosidase ...
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#33Pharmacophore Modeling - Profacgen
A pharmacophore model is the ensemble of common steric and electronic features that are necessary to ensure the optimal molecular interactions with a specific ...
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#34LigandScout: Automated Pharmacophore Model Creation
LigandScout: Automated Pharmacophore Model Creation. G. Wolber and T. Langer. Institute of Pharmacy, Dpt. of Pharmaceutical Chemistry,.
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#35Pharmacophore modeling, virtual computational screening ...
The compounds that match a well-defined pharmacophore have been analyzed through direct molecular docking, for selecting only the best ...
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#36E-pharmacophore based virtual screening for identification of ...
The need of circumventing life-threatening cardiovascular disorders (CVDs) and pulmonary hypertension (PHT) worldwide prompts researchers to ...
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#37About: Pharmacophore - DBpedia
A pharmacophore is an abstract description of molecular features that are necessary for molecular recognition of a ligand by a biological macromolecule.
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#38Pharmacophore modeling and applications in drug discovery
The basic concepts and methods of generation of pharmacophore models are briefly discussed and its wide scope for the future application ...
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#39Pharmacophores | Schrödinger
The Schrödinger Platform. Unleash the possibilities of molecular design with a digital chemistry platform that is governed by physics, amplified by machine ...
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#40File:Pharmacophore-5-HT2C.svg - Wikimedia Commons
English: 5-HT2C best fit mapped with the four features of the agonist pharmacophore. Diagram based on 'Pharmacophore 5HT2C.jpg' uploaded by ...
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#41Pharmacohoreppt - SlideShare
Pharmacophore and FTrees Abhik Seal Indiana University Bloomington November 16.
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#42#Pharmacophore - Twitter Search / Twitter
See Tweets about #Pharmacophore on Twitter. See what people are saying and join the conversation.
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#43What is pharmacophore ligand? - JanetPanic.com
A pharmacophore model explains how structurally diverse ligands can bind to a common receptor site. What is pharmacophore generation? Highlights ...
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#44How do you create a pharmacophore model?
What is the purpose of pharmacophore modeling and screening for new optimized drugs in medicinal chemistry? The pharmacophore models can be used ...
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#45Pharmacophore - Pharmwar
A pharmacophore is defined as the 3D arrangement of features that is crucial for a ligand molecule in order to interact with a target ...
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#46Pharmacophore and FTrees - ppt video online download
Pharmacophore IUPAC Definition: “An ensemble of steric and electronic features that is necessary to ensure the optimal supramolecular interactions with a ...
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#47Pharmacophore/principe actif - UE6 ICM - Forums - Tutorat ...
Bonsoir ! Je me demandais si le pharmacophore correspond a une partie du principe actif qui lui contient des parties de molécules inactives ...
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#48Farmacóforo (Pharmacophore) 2021 - Artigos.wiki
Um farmacóforo é uma descrição abstrata de características moleculares que são necessárias para o reconhecimento molecular de um ligante por ...
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#49docking and scoring in virtual screening for drug discovery
When PHARMACOPHORE constraints and conformational flexibility were taken into account, simple contact scores outperformed force-field treatment (even when over-.
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#50Bioisosterism: A Useful Strategy for Molecular Modification ...
Thus, when bioisosteric replacement occurs in functional groups involved in the pharmacophore subunit of a certain bioactive substance, the relative activity of ...
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#51Synthesis and Bioactivity Evaluation of Novel Thiochroman-4 ...
... and antifungal activity of threoninamide carbamate derivatives via pharmacophore model,” Journal of Enzyme Inhibition and Medicinal Chemistry, vol.
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#52Nephelometry & Turbidimetry: Instrumentation, Principal ...
Pharmacophore solutions is an academia by the pharmacy people for the pharmacy people in the welfare of pharmacy education.
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#53Direct arylation of strong aliphatic C–H bonds - Princeton ...
Decarboxylative arylation of α-amino acids via photoredox catalysis: a one-step conversion of biomass to drug pharmacophore. J. Am. Chem. Soc.
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#54What are the benefits of typing all day? - Sharenol
...Druggability simulations and pharmacophore modeling. ...Virtual screening of library of small molecules. ...Selection of lead compounds.
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#55Adhesion Science Rsc Paperbacks - TEST Alliance Please ...
pharmacophore modelling, chemoinformatic applications of artificial intelligence and machine learning, molecular dynamics simulation and enhanced sampling ...
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#56Geometry Chapter11 Simalirties - Free eBooks in the Genres ...
modeling and drug design, such as receptor mapping and the pharmacophore approach, are presented and illustrated by several examples.
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#57BMW Bank - cong9294
Kiwanja kiliundwa kwa nia ya kuiga pharmacophore ya kati ya His-Phe-Arg-Trp ya melanocortins, na hii imeonekana kuwa na mafanikio kulingana ...
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