Structure‐activity relationship of heme and its analogues in membrane damage and inhibition of fusion
Sign Up to like & getrecommendations! Published in 2018 at "FEBS Letters"
DOI: 10.1002/1873-3468.13165
Abstract: Under pathological conditions, such as sickle cell disease and malaria, heme concentration increases considerably, and it induces membrane damage. As sickled and normal erythrocytes contain high cholesterol: phospholipid ratio, we investigated the role of lipid… read more here.
Keywords: inhibition fusion; membrane damage; activity relationship; structure activity ... See more keywords
Structure–Activity Relationships in Oxygen Electrocatalysis
Sign Up to like & getrecommendations! Published in 2024 at "Advanced Materials"
DOI: 10.1002/adma.202408139
Abstract: Oxygen electrocatalysis, as the pivotal circle of many green energy technologies, sets off a worldwide research boom in full swing, while its large kinetic obstacles require remarkable catalysts to break through. Here, based on summarizing… read more here.
Keywords: relationships oxygen; oxygen electrocatalysis; structure activity; activity relationships ... See more keywords
Exploration of the structure–activity relationship and druggability of novel oxazolidinone‐based compounds as Gram‐negative antibacterial agents
Sign Up to like & getrecommendations! Published in 2019 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.201900129
Abstract: To gain further knowledge of the structure–activity relationship and druggability of novel oxazolidinone‐based UDP‐3‐O‐acyl‐N‐acetylglucosamine deacetylase (LpxC) inhibitors as Gram‐negative antibacterial agents, compounds containing the hydrophobic tails with different lengths and terminal substitutions were synthesized and… read more here.
Keywords: gram negative; structure activity; novel oxazolidinone; oxazolidinone based ... See more keywords
Novel pyrazolo[3,4‐b]pyridine derivatives: Synthesis, structure–activity relationship studies, and regulation of the AMPK/70S6K pathway
Sign Up to like & getrecommendations! Published in 2022 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.202100465
Abstract: A series of novel pyrazolo[3,4‐b]pyridine derivatives were designed, synthesized, and biologically evaluated for anti‐lung cancer activity. Structure–activity relationship and AutoGPA models were constructed based on the in vitro antiproliferative potency of the compounds against a… read more here.
Keywords: novel pyrazolo; structure activity; pyrazolo pyridine; pyridine derivatives ... See more keywords
Benzimidazole hybrids as anticancer drugs: An updated review on anticancer properties, structure–activity relationship, and mechanisms of action (2019–2021)
Sign Up to like & getrecommendations! Published in 2022 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.202200051
Abstract: Cancer, characterized by a deregulation of the cell cycle which mainly results in a progressive loss of cellular differentiation and uncontrolled cellular growth, remains a prominent cause of death across the world. Almost all currently… read more here.
Keywords: structure activity; anticancer properties; activity relationship; benzimidazole hybrids ... See more keywords
Synthesis, structure-activity relationship, and biological evaluation of quinolines for development of anticancer agents.
Sign Up to like & getrecommendations! Published in 2023 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.202200673
Abstract: Tetrahydro-β-carbolines (THβCs) are a kind of natural alkaloids with multiple pharmaceutical activities. Herein, a focused compound library derived from THβCs was synthesized and their anticancer activities were studied in several cancer cell lines. Among them,… read more here.
Keywords: activity relationship; anticancer; structure activity;
Synthesis, Antituberculosis Evaluation and Structure–Activity Relationships of New SQ109 Analogs
Sign Up to like & getrecommendations! Published in 2025 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.202400665
Abstract: Tuberculosis (TB) is a bacterial disease that poses significant challenges in its treatment. It requires prolonged use of high doses of medication, which can lead to various side effects. These side effects often contribute to… read more here.
Keywords: evaluation structure; antituberculosis evaluation; structure activity; synthesis ... See more keywords
Insights on the structure‐activity relationship of peptides derived from Sticholysin II
Sign Up to like & getrecommendations! Published in 2018 at "Peptide Science"
DOI: 10.1002/bip.23097
Abstract: Sticholysin II (StII) is a pore‐forming actinoporin from the sea anemone Stichodactyla helianthus. A mechanistic model of its action has been proposed: proteins bind to cell membrane, insert their N‐termini into the lipid core and… read more here.
Keywords: insights structure; activity relationship; structure activity; peptides derived ... See more keywords
Task‐Similarity is a Crucial Factor for Few‐Shot Meta‐Learning of Structure‐Activity Relationships
Sign Up to like & getrecommendations! Published in 2024 at "ChemBioChem"
DOI: 10.1002/cbic.202400095
Abstract: Machine learning models support computer‐aided molecular design and compound optimization. However, the initial phases of drug discovery often face a scarcity of training data for these models. Meta‐learning has emerged as a potentially promising strategy,… read more here.
Keywords: structure activity; meta learning; similarity;
Identification of hit compounds for squalene synthase: Three‐dimensional quantitative structure‐activity relationship pharmacophore modeling, virtual screening, molecular docking, binding free energy calculation, and molecular dynamic simulation
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Chemometrics"
DOI: 10.1002/cem.2923
Abstract: Squalene synthase (SQS) is the key precursor in the synthesis of cholesterol. Located downstream in relation to hydroxy methylglutaryl coenzyme A reductase and having no influence on the formation of biologically necessary isoprenoids make it… read more here.
Keywords: three dimensional; quantitative structure; squalene synthase; dimensional quantitative ... See more keywords
Four‐dimensional quantitative structure‐activity analysis of 1,4‐naphthoquinone derivatives tested against HL‐60 human promyelocytic leukemia cells
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Chemometrics"
DOI: 10.1002/cem.3131
Abstract: Four‐dimensional quantitative structure‐activity relationship (4D‐QSAR) models were developed to predict biological activity of 1,4‐naphthoquinones derivatives tested against human HL‐60 leukemic cells, in order to better investigate the action mode of these compounds. Quinones can generate… read more here.
Keywords: quantitative structure; four dimensional; derivatives tested; dimensional quantitative ... See more keywords