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Structure-Based Design and Structure-Activity Relationship Analysis of Small Molecules Inhibiting Bcl-2 Family Members
Based on a Mcl-1/Bcl-2 dual inhibitor (S1) previously reported by our group, structure-directed molecular design and structure-activity relationship...
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Potential of natural products in inflammation: biological activities, structure–activity relationships, and mechanistic targets
A balance between the development and suppression of inflammation can always be found in the body. When this balance is disturbed, a strong...
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Ginsenoside Rg5 as an anticancer drug: a comprehensive review on mechanisms, structure–activity relationship, and prospects for clinical advancement
Cancer remains one of the leading causes of death in the world. Despite the considerable success of conventional treatment strategies, the incidence...
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Synthesis, Structure, and Antiproliferative Activities of Complexes of Some Transition Metals with 5,7-Dichloro-8-Hydroxyquinoline-2-Carboxaldehyde-4-Phenyl-3-Thiosemicarbazone
A new quinoline–thiosemicarbazone derivative, 5,7-dichloro-8-hydroxyquinoline-2-carboxaldehyde-4-phenyl-3-thiosemicarbazone (QPS) and seven complexes...
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Structure–Activity Relationship of Cytotoxic Natural Products from Indonesian Marine Sponges
Indonesian marine natural products have been one of the most promising sources in the race to obtain potential drugs for cancer treatment. One of the...
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Health supply chain system in Uganda: current issues, structure, performance, and implications for systems strengthening
BackgroundThe health supply chain system is essential for the optimum performance of the healthcare system. Despite increased investments in the...
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Anticancer Activity–Structure Relationship of Quinolinone-Core Compounds: An Overall Review
Quinolinone/quinoline is one of the most unique structures in the discovery of heterocycles that have attracted much attention in the field of...
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Automated machine learning approach for develo** a quantitative structure–activity relationship model for cardiac steroid inhibition of Na+/K+-ATPase
BackgroundQuantitative structure–activity relationship (QSAR) modeling is a method of characterizing the relationship between chemical structures and...
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Isolation, structure elucidation, total synthesis, and biosynthesis of dermazolium A, an antibacterial imidazolium metabolite of a vaginal bacterium Dermabacter vaginalis
Dermabacter vaginalis is a human-derived bacterium isolated from vaginal fluid of a Korean female in 2016. Although several human-related species in Dermabacter...
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Unraveling snake venom phospholipase A2: an overview of its structure, pharmacology, and inhibitors
Snake bite is a neglected disease that affects millions of people worldwide. WHO reported approximately 5 million people are bitten by various...
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Structure–activity relationships of novel quinazoline derivatives with high selectivity for HER2 over EGFR
The gene amplification of human epidermal growth factor receptor 2 (HER2) plays an essential role in the proliferation and progression of several...
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Quantitative Structure–Activity Relationship Analysis and Validation of New DNA Gyrase Inhibitors
Quantitative structure–activity relationship (QSAR) analysis was carried out for a series of 61 compounds with thiazole and benzthiazole moiety for...
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Recent advances on Pestalotiopsis genus: chemistry, biological activities, structure–activity relationship, and biosynthesis
Strains of the fungal genus Pestalotiopsis are reported as large promising sources of structurally varied biologically active metabolites. Many...
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Ceftriaxone causes dysbiosis and changes intestinal structure in adjuvant obesity treatment
BackgroundObesity is still a worldwide public health problem, requiring the development of adjuvant therapies to combat it. In this context,...
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Crystal Structure, Anticancer, and Antimicrobial Evaluation of a Novel Substituted Pyrazole Ligand and Its Co(II), Ni(II), and Zn(II) Complexes
Synthesis of substituted heterocyclic organic ligands and their metal complexes attract more attention in coordination chemistry in recent years...
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Oritavancin (KIMYRSA™) in acute bacterial skin and skin structure infections: a profile of its use in the USA
Oritavancin, a long-acting lipoglycopeptide, is the first single-dose intravenous (IV) antibacterial therapy approved in the USA for the treatment of...
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Structure Elucidation of a Methylated Flavan-3-ol and Dimeric Prodelphinidin from Stryphnodendron adstringens
The new methylated polyphenols, 4’- O -methyl- ent -epigallocatechin and 4’- O -methyl-epigallocatechin-3- O -gallate-(4 α → 8)-gallocatechin, together with...
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Histopathological and Enzymological Evaluation of Opium Tincture and Protective Effects of Chicory Extract on Liver Structure in Adult Male Rats
Opium tincture (OT) is one of the common drugs in the treatment of addiction. However, the metabolism of its chemical compounds (e.g. morphine) may...
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Structure-Based Virtual Screening and Molecular Dynamics Simulation to Identify Potential SARS-CoV-2 Spike Receptor Inhibitors from Natural Compound Database
The outbreak of respiratory disease, COVID-19 caused by SARS-CoV-2 has now been spread globally and the number of new infections is rising every...
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Molecular and Crystal Structure of N-Allylamide-9-Nitrocytisine
X-ray diffraction measurements and quantum-chemical calculations of the crystal structures of nitromethylcytisines were performed. N -allylamide-9-nitr...
