In Silico Pharmacology
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Molecular docking studies on InhA, MabA and PanK enzymes from Mycobacterium tuberculosis of ellagic acid derivatives from Ludwigia adscendens and Trewia nudiflora
In Silico Pharmacology - Tập 3 - Trang 1-7 - 2015
There is an urgent need to discover and develop new drugs to combat Mycobacterium tuberculosis, the causative agent of tuberculosis (TB) in humans. In recent years, there has been a renewed interest in the discovery of new anti-TB agents from natural sources. In the present investigation, molecular docking studies were carried out on two ellagic acid derivatives, namely pteleoellagic acid (1) isol...... hiện toàn bộ
Discovery of potential epidermal growth factor receptor inhibitors from black pepper for the treatment of lung cancer: an in-silico approach
In Silico Pharmacology -
Drug repurposing by in silico prediction of cyclizine derivatives as antihyperlipemic agents
In Silico Pharmacology - Tập 11 - Trang 1-10 - 2023
Cardiovascular diseases are the primary factor for increased mortality rates around the world. Atherosclerosis brought on by high serum cholesterol can result in coronary heart disease (CHD). The risk of CHD is markedly reduced by lowering serum cholesterol levels. Scientists across the world are inventing new treatment regimens for lowering blood lipid levels. In this work, we repurposed the alre...... hiện toàn bộ
In silico bioprospecting of receptors for Doderlin: an antimicrobial peptide isolated from Lactobacillus acidophilus
In Silico Pharmacology - Tập 11 - Trang 1-11 - 2023
The emergence of resistant bacteria strains against traditional antibiotics and treatments increases each year. Doderlin is a cationic and amphiphilic peptide active against gram-positive, negative and yeast stains. The aim of the present work was prospect potentials receptors associated of antimicrobial activity of Doderlin using in silico bioinformatics tools. To search for potential targets of ...... hiện toàn bộ
In silico quest of selective naphthyl-based CREBBP bromodomain inhibitor
In Silico Pharmacology - Tập 6 - Trang 1-10 - 2018
The reader proteins like bromodomains have recently gained increased attentions in the area of epigenetic drug discovery, as they are the potent regulators in gene transcription process. Among the other bromodomains, cAMP response element-binding protein (CREB) binding protein or CREBBP bomodomain involved in various cancer progressions and therefore, efforts to develop specific inhibitors of CREB...... hiện toàn bộ
Khám phá các dẫn xuất oxadiazolo pyridine mới như là những chất ức chế ghrelin O-acyltransferase mạnh mẽ bằng cách sử dụng các kỹ thuật mô hình hóa phân tử Dịch bởi AI
In Silico Pharmacology - Tập 11 - Trang 1-17 - 2023
Diabesity là một vấn đề sức khỏe toàn cầu nghiêm trọng, và ghrelin O-acyltransferase (GOAT) đóng vai trò là một mục tiêu quan trọng trong việc phát triển các chất ức chế mới cho căn bệnh này. Công trình hiện tại làm nổi bật một nghiên cứu QSAR chi tiết sử dụng phần mềm QSARINS, cung cấp một phương trình mô hình xuất sắc sử dụng các mô tả đặc trưng. Ở đây, phương trình mô hình tốt nhất được phát tr...... hiện toàn bộ
#Diabesity #Ghrelin O-acyltransferase #QSAR #Mô hình hóa phân tử #Độc tính ADME #Glioma
Implementing the “Best Template Searching” tool into Adenosiland platform
In Silico Pharmacology - Tập 1 - Trang 1-4 - 2013
Adenosine receptors (ARs) belong to the G protein-coupled receptors (GCPRs) family. The recent release of X-ray structures of the human A2A AR (h A2A AR ) in complex with agonists and antagonists has increased the application of structure-based drug design approaches to this class of receptors. Among them, homology modeling represents the method of choice to gather structural information on the ot...... hiện toàn bộ
Molecular docking of selected phytoconstituents with signaling molecules of Ultraviolet-B induced oxidative damage
In Silico Pharmacology - Tập 5 - Trang 1-9 - 2017
The signaling molecules TNF-α, AP-1, and NF-κB act to integrate multiple stress signals into a series of diverse antiproliferative responses. Disruption of these processes can promote tumor progression and chemoresistance. Naturally occurring plant derived compounds are considered as attractive candidates for cancer treatment and prevention. Phytoconstituents can control and modify various biologi...... hiện toàn bộ
Investigation of alpha amylase inhibitors from Bidens pilosa L. by in silico and in vitro studies
In Silico Pharmacology - Tập 12 - Trang 1-15 - 2024
Bidens pilosa L. has been traditionally used as an anti-diabetic herbal medicine; however, its mechanism of action remains elusive. In this study, the potential role of B. pilosa compounds on alpha-amylase inhibition and regulation of multiple pathways was investigated via computational and experimental studies. The phytocompounds were retrieved from plant databases and published literature. The d...... hiện toàn bộ
Exploring the anticancer potential of fluoro flavone analogues: insights from molecular docking and dynamics studies with Aurora Kinase B
In Silico Pharmacology -
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