Inhibition structure activity relationship. Medical search. Frequent questions

However, although the use of polysaccharides and their derivatives as antiscalants have been reported, polysaccharide-based scale inhibitors could not be used widely because of the difficulty in controlling their complex molecular structures to meet the application requirements, such as molecular weight, degree of functional groups substitution and its distribution on the polymer backbone, and chain architectures (linear, branching and star-like forms). (databasefootball.com)
Given that anionic groups, such as carboxylic and sulfonic groups, usually play important roles in scale inhibition, several anionic St-based scale inhibitors have been reported using various chemical modifications. (databasefootball.com)
Fluorovinylsulfones and -Sulfonates as Potent Covalent Reversible Inhibitors of the Trypanosomal Cysteine Protease Rhodesain: Structure-Activity Relationship, Inhibition Mechanism, Metabolism, and In Vivo Studies. (mpg.de)
Synthesis, in vitro transcription inhibition assays, and biological testing of the hybrids identified a range of potent anti-transcription inhibitors with activity against a range of pathogenic bacteria with MICs as low as 3.1 μM. (edu.au)
Inhibition of intraerythrocytic development of Plasmodium falciparum by proteinase inhibitors. (ox.ac.uk)
In this paper we have represented "Three Dimensional Quantitative Structure Activity Relationship" study to characterize structural features of Sulfamide derivative [RRNSO2NH2] as inhibitors, that are required for selective binding of carbonic anhydrase isozymes (CAI and CAII). (eurekaselect.com)
In response to a growing need for more effective anti-TB drugs, we have built upon our previous screening efforts and report herein an optimization campaign of a novel series of inhibitors with a unique inhibition profile. (lookchem.com)
A structure-activity relationship study of 38 compounds in this structural family yielded highly potent (IC(50) 1M) Eis inhibitors, which did not inhibit other acetyltransferases. (cdc.gov)
Crystal structures of Eis in complexes with three of the inhibitors showed that the inhibitors were bound in the aminoglycoside binding site of Eis, consistent with the competitive mode of inhibition, as established by kinetics measurements. (cdc.gov)
When tested in Mtb cultures, two inhibitors (47 and 55) completely abolished resistance to KAN of the highly KAN-resistant strain Mtb mc(2) 6230 K204, likely due to Eis inhibition as a major mechanism. (cdc.gov)

Synthesis and structure-activity relationships of analogs of EM-652 (acolbifene), a pure selective estrogen receptor modulator. (wikipedia.org)
Synthesis, Fluorine-18 Radiolabeling, and Biological Evaluation of N-((E)-4-Fluorobut-2-en-1-yl)-2β-carbomethoxy-3β-(4′-halophenyl)nortropanes: Candidate Radioligands for In Vivo Imaging of the Brain Dopamine Transporter with Positron Emission Tomography. (acs.org)
We discovered that an antipsychotic drug, haloperidol (HPD, 1), was a potent Eis inhibitor with IC(50) = 0.39 0.08 M. We determined the crystal structure of the Eis-haloperidol (1) complex, which guided synthesis of 34 analogues. (cdc.gov)
DNA/RNA synthesis inhibition, cell countries, and remains an important throughout, however, give the reader death in the absence of protein synthe- risk to human health. (cdc.gov)

A quantitative structure-activity relationship (QSAR) study indicated that the MAO-B inhibition potencies of the 8-benzyloxycaffeinyl analogues are dependent on the Hansch lipophilicity (pi) and Hammett electronic (sigma) constants of the substituents at C-3 of the benzyloxy ring. (unboundmedicine.com)

A number of tetracyclines (TCs), both antimicrobial compounds as well as chemically modified non-antimicrobial TC analogues (CMTs) are known to possess potent inhibitory activity against these enzymes. (nih.gov)
Furthermore, NFκB inhibition data for the additional five analogues indicate a structure-activity relationship (SAR). (bath.ac.uk)
Structure-activity relationship analysis of curcumin analogues on anti-influenza virus activity. (greenmedinfo.com)
To search for a stable Cur analogue with potent anti-IAV activity and to investigate the structure contributing to its anti-IAV activity, a comparative analysis of structural and functional analogues of Cur, such as tetrahydrocurcumin (THC) and petasiphenol (Pet), was performed. (greenmedinfo.com)
It should be noted that the structure of Pet and THC differs from Cur with respect to the number of double bonds present in the central seven-carbon chain, and structure modelling of Cur analogues indicates that the conformations of THC and Pet are distinct from that of Cur. (greenmedinfo.com)
The structure-activity relationship study showed that in addition to haloperidol (1), eight analogues, some of which were smaller than 1, potently inhibited Eis (IC(50) 1 M). Crystal structures of Eis in complexes with three potent analogues and droperidol (DPD), an antiemetic and antipsychotic, were determined. (cdc.gov)

These compounds contain abundant active functional groups, such as carboxyl and amino groups, and exhibit good scale-inhibition performance due to their efficient chelation, dispersion, and lattice distortion. (databasefootball.com)
The activity of these compounds to inhibit K+, histamine (H), actylcholine (ACh), nicotine (Nic) and serotonin (5-HT) induced contractions was determined using superfused GPI segments. (erowid.org)
The results showed higher enzyme inhibition potential of the synthesized compounds (2-5) as compared to scopolamine (1). (tubitak.gov.tr)
The anti‐proliferative activity of all newly synthesized compounds has been assessed against six human solid tumor cell lines. (researchgate.net)
Seven compounds show good activity against single cell line whereas, compounds having a pyridine scaffold showed significant anti‐proliferative activity. (researchgate.net)
All newly synthesized compounds were screened for anti‐proliferative activity against different human tumor cell lines. (researchgate.net)
A clear structure activity relation was defined, active compounds having the structure NH2-O-R, R being a simple uncharged aliphatic group. (mcmaster.ca)
The predictive power of the model was successfully tested externally using a set of six compounds as test set for CA-I inhibitory activity and a set of seven compounds in case of CA-II inhibitory activity with good predictive squared correlation coefficient, r2 pred=0.6016 and 0.7662, respectively. (eurekaselect.com)
Since, however, the numbers were small, dose-response relationships could not be evaluated, and the role of compounds other than PCBs could not be excluded, the evidence was considered to be limited. (who.int)

Flavonoids have been shown to exhibit antiinflammatory, antithrombogenic, antidiabetic, anticancer, and neuroprotective activities through different mechanisms of action in vitro and in animal models. (oregonstate.edu)
Correlation of in vitro transcription inhibition activity with in vivo mechanism of action was established using fluorescence microscopy and resistance passaging using Gram-positive bacteria showed no resistance development over 30 days. (edu.au)
NK activation was evaluated, and its tumoricidal activity was assessed using in vitro and in vivo tumor models. (weeksmd.com)
In addition, NK cells stimulated with lunasin plus cytokines displayed higher tumoricidal activity than those stimulated with cytokines alone using in vitro and in vivo tumor models. (weeksmd.com)

Journal of Enzyme Inhibition and Medicinal Chemistry. (wikipedia.org)
Agonist specificity combined with the enzyme data suggest an inhibition of histamine catabolism as a possible mechanism for the potentiating effects observed. (mcmaster.ca)
Selective inhibition of Ciliary process enzyme i.e. (eurekaselect.com)

We did so by considering that small chemicals have potent biological properties, that single atom changes in their structure can affect those properties, that chemical structure can be modulated, and that as such they constitute highly refined biological probes. (nature.com)
Overview of analysis favours substituents with high electronegativity and less bulk at R and R positions of the parent nucleus, provides a basis to design new Sulfamide derivatives possessing potent and selective carbonic anhydrase-II inhibitory activity. (eurekaselect.com)
While direct repurposing of haloperidol as an anti-TB agent is unlikely due to its neurotoxicity, this study reveals potential approaches to modifying this chemical scaffold to minimize toxicity and improve metabolic stability, while preserving potent Eis inhibition. (cdc.gov)

Addition of excess zinc partially reversed the proteinase inhibition by TCs. (nih.gov)
The range of inhibitory action varied with peptide structure in a manner characteristic of affinity labels for proteinases suggesting that the target of inhibition was an unidentified proteinase, probably of the cysteinyl type, but different from cathepsins B and L. (ox.ac.uk)

Therefore, the relationship between the molecular structural morphology of a grafted St, namely, grafting ratio and grafted-chain distribution, and its scale inhibition properties is an interesting topic. (databasefootball.com)
A structure activity relationship study identified the key structural components necessary for inhibition of both bacterial growth and transcription. (edu.au)

In vivo, using rats made diabetic with streptozotocin (STZ), oral administration of various TCs led to decreased weight loss and substantial reductions in the activity of both skin collagenase and skin gelatinase (primarily MMP-9, 92 kDa) without affecting blood glucose. (nih.gov)
The bioavailability of these polyphenols in vivo is a major determinant in their ability to exert biological activities relevant to human health. (oregonstate.edu)

The synthesized scopolamine derivatives (2-6) showed remarkable AChE inhibitory activity, except for scopoline (6). (tubitak.gov.tr)
In the analysis, stepwise multiple linear regression was performed using physiochemical parameters as independent variable and CA-I and CA-II inhibitory activity as dependent variable, respectively. (eurekaselect.com)
The best multiparametric QSAR model obtained for CA-I inhibitory activity shows good statistical significance (r= 0.9714) and predictability (Q2=0.8921), involving the Electronic descriptors viz. (eurekaselect.com)
Similarly, CA-II inhibitory activity also shows good statistical significance (r=0.9644) and predictability (Q2=0.8699) involving aforementioned descriptors. (eurekaselect.com)

The crystal structures of acridinedione derivatives are expected to provide useful information on the mol-ecular conformation, which has a direct relationship to biological activity. (iucr.org)

In ascertaining the erectogenic and antidiabetic properties of the extracts, the effects of the extracts on activities of some enzymes relevant to erectile dysfunction (arginase and phosphodiesterase-5) and type-2 diabetes (α-amylase and α-glucosidase) were determined. (degruyter.com)
7] Ghiadoni L, Versari D, Taddei S. Phosphodiesterase 5 inhibition in essential hypertension. (degruyter.com)

Diabetes mellitus in rats is characterized by excessive activity of several matrix metalloproteinases (MMPs), notably collagenase(s) and gelatinase(s), in skin, gingiva, and other tissues. (nih.gov)
Indonesian purple rice has a lower concentration of ferulic acid (4.114 ± 0.013 mg/L) than black rice but shows strong reducing power (IC 50 9.35 ± 1.95 µg/mL), high anti-tyrosinase (IC 50 59.57 ± 3.60 µg/mL), and moderate anti-collagenase activities (IC 50 74.18 ± 3.11 µg/mL). (ugm.ac.id)

consequently, genes encoding some of these proteins are being used to design constructs for the inhibition of multiplying cancer cells. (weeksmd.com)

Cyclic nucleotide phosphodiesterases: relating structure and function. (degruyter.com)
The site of neurotoxic action is reviewed with specific mention made of chemical structure relationships to delayed neurotoxic activity for aliphatic phosphorus esters, pyrophosphorus esters, aliphatic aromatic phosphorus esters, triaryl phosphate esters, and saligenin cyclic phosphorus esters. (cdc.gov)

Electron-withdrawing substituents with a high degree of lipophilicity enhance inhibition potency. (unboundmedicine.com)

Multiple scale inhibition mechanisms working together contribute to the effectiveness of the antiscalants, including chelation, dispersion, lattice distortion, and threshold effects. (databasefootball.com)
Although the cellular mechanisms and normal functions associated with α S have not yet been completely resolved, the increased levels of α S in the brains of patients with PD suggest a relationship with the neurotransmitter DA [ 8 ]. (hindawi.com)
BP act in the regulation of osteoclast function by decreasing bone resorption by different mechanisms, inhibiting the development of their precursor cells, increasing apoptosis rate, stimulating inhibitor factors and reducing its activity 28 . (bvsalud.org)

Recio M, Rios J, and Villar A. Antimicrobial activity of selected plants employed in the Spanish Mediterranean area. (medlineplus.gov)

Indeed, given that four guanine residues can self-associate in a planar arrangement through a Hoogsteen-type hydrogen-bonding network [ 4 ] to form a structure called G-quartet, G-rich strands can adopt a peculiar three-dimensional arrangement called G-quadruplex DNA [ 5 - 9 ] resulting from the stacking of several contiguous G-quartets (Figure 1 ). (hindawi.com)
Moreover, simulation docking of Cur with the HA structure revealed that Cur binds to the region constituting sialic acid anchoring residues, supporting the results obtained by the inhibition of HA activity assay. (greenmedinfo.com)

Many studies have been done on scale inhibition using synthetic polymers without phosphorus, such as poly(acrylic acid), poly(maleic acid), and their various copolymers. (databasefootball.com)

The short-term protein trafficking inhibition and long-term effect on plant growth and survival caused by TE1 were fully reversible upon drug washout. (portlandpress.com)
Collectively, structure-activity relationship analyses indicate that the presence of the double bonds in the central seven-carbon chain enhanced the Cur -dependent anti-IAV activity and also that Cur might interfere with IAV entry by its interaction with the receptor binding region of viral HA protein. (greenmedinfo.com)
TCDD for every step of the mechanism described for 2,3,7,8-TCDD carcinogenesis in humans including receptor binding, gene expression, protein activity changes, cellular replication, oxidative stress, promotion in initiation-promotion studies and complete carcinogenesis in laboratory animals. (who.int)

Skin aging is associated with decreased skin firmness and excessive pigmentation, which is caused by the activity of aging enzymes. (ugm.ac.id)
Inhibitory potential of some Romanian medicinal plants against enzymes linked to neurodegenerative diseases and their antioxidant activity. (medlineplus.gov)

Due to characteristic physicochemical properties of sulphonamide (Inhibition of Carbonic Anhydrase), they are clinically effective against glaucoma. (eurekaselect.com)

The remarkable results on yield, process, development of DHPs, anti‐proliferative activity, structure determination and single crystal study of DHPs discussed in this article. (researchgate.net)
This study of healthy and schizophrenic patients investigated the differential effects of childhood adversity on brain volume and structure, and its association with the ability to recognize emotions. (medscape.com)
This EEG study demonstrated that class activity and class time is reflected in adolescents' real-world brain state, suggesting that mid-morning may be the best time to learn. (medscape.com)

Thus more than 100 crystal structures containing this aforementioned fragment are deposited with the CCDC [6]. (researchgate.net)

Structure-activity relationship studies revealed that only minor modifications were possible without loss of biological activity. (portlandpress.com)
Stimulated by the pioneering studies on the cationic porphyrin TMPyP4 and the natural product telomestatin, follow-up studies have developed, rapidly leading to a large diversity of macrocyclic structures with remarkable-quadruplex binding properties and biological activities. (hindawi.com)
Numerous studies currently suggest that quadruplex formation in this overhang alters the structure and function of telomeres, inducing a damage response and rapid apoptosis in particular in cancer cells [ 14 - 24 ]. (hindawi.com)
High-resolution structures, biophysical and in silico studies have led to tremendous progress in understanding the mechanism of drug transport by these ABC transporters, and several promising therapies, including irradiation-based immune and thermal therapies, and nanomedicine have been used to overcome ABC transporter-mediated cancer chemoresistance. (nature.com)
This, yet unidentified mechanism of toxicity, distinct from Eis inhibition, will merit future studies along with further development of these molecules as anti-mycobacterial agents. (cdc.gov)

New β-lactam - Tetramic acid hybrids show promising antibacterial activities. (stjude.org)

Recent research has provided new emergence of bovine spongiform tion because a substantial body of new data on the agent's structure-function encephalopathy (BSE) in British cat- information has since been gathered. (cdc.gov)

Their bioavailability and biological activities in humans appear to be strongly influenced by their chemical nature. (oregonstate.edu)

Their acetylcholine esterase (AChE) and trypsin inhibitory potentials were determined through standard protocols and evaluated from the perspective of structure-activity relationship. (tubitak.gov.tr)

We tested the hypothesis that an inhibition of histamine catabolism could explain the observed potentiation. (mcmaster.ca)

Select the highlighted text to see chemical structures. (oregonstate.edu)
Dr Blaney has many years of experience in industrial drug discovery research, focusing on structure-based design, high-throughput docking, combinatorial library design, and chemical informatics. (ldorganisation.com)
The relationship between the chemical structure of organophosphorus esters and their ability to induce delayed neurotoxicity is reviewed. (cdc.gov)

St- g -PAA may thus own good scale-inhibition performance and have significant application potentials as a commercial scale inhibitor. (databasefootball.com)
The structure of the general document is comprehensible and smooth, articulation of topics provides a good overview of future objectives. (who.int)

HU showed higher α-amylase (IC 50 =221.30 µg/mL) and α-glucosidase (IC 50 =184.35 µg/mL) inhibition than CG. (degruyter.com)
2006). The serum levels of workers engaged in sealant removal were 2-10 times higher at the end of these activities than they had been one year before (Kontsas et al. (who.int)

Using wild type guinea pig and rat, we demonstrate a PK/PD relationship between free drug concentrations in the brain and CSF Aβ lowering. (rcsb.org)

Every field highlights the main issues as wel as solutions thereto through scheduled activities, and the sub-objectives of the development plan can be implemented in the best way to achieve the strategic objective - longer, healthier and better life of the people. (who.int)

these structures differ by strand orientation (grey dashed arrows) and loop arrangement (represented in orange, yellow, and red). (hindawi.com)
The nature of the stem cell substates and their relationship to commitment to differ- entiate and lineage selection can be elucidated in terms of a landscape picture in which stable states can be defined mathematically as attractors. (lu.se)

1999. Transactivation activity of human, zebrafish, and rainbow trout aryl hydrocarbon receptors expressed in COS-7 cells: Greater insight into species differences in toxic potency of polychlorinated dibenzo- p -dioxin, dibenzofuran, and biphenyl congeners. (cdc.gov)
Compound 5 showed high antiproliferative activity against several human tumor cell lines. (researchgate.net)
Graduates of these programs work in such areas as pharmaceuticals and related human health activities, food science and nutritional biochemistry, environment, energy, as well as biotechnological related issues of finance and policy. (brocku.ca)

1997. Inhibition of L-aromatic amino acid decarboxylase by polychlorinated biphenyls. (cdc.gov)

To date, a broad spectrum of anti-tumor activities has been reported for phenanthroindolizidine alkaloids (PAs), however, their mode of action in TNBC remains elusive. (bath.ac.uk)

We suggest that current information regarding the structure, mechanism and regulation of ABC transporters should be used in clinical trials to improve the efficiency of chemotherapeutics for patients with cancer. (nature.com)

Starting with spirocycle 1a, we explore structure-activity relationships of core changes, P3 moieties, and Asp binding functional groups in order to optimize BACE1 affinity, cathepsin D selectivity, and blood-brain barrier (BBB) penetration. (rcsb.org)
This narrative review explores the relationship of functional brain network organization to obesity and to eating disorders such as binge eating. (medscape.com)
Reduced brain activity and functional connectivity during creative idea generation in individuals with smartphone addiction. (medscape.com)

Received 7 November 2007 tive toxicological testing, resulting in exposure-response relationships. (cdc.gov)

We also suggest a minimum tors formed the search terms for our review of dence linking these factors to exposure or to set of measures that are necessary to under- the literature that searched the PubMed, the relationship of exposure and health. (cdc.gov)

2,3,7,8-Tetrachlorodibenzo- p -dioxin as an antiestrogen: Effect on rat uterine peroxidase activity. (cdc.gov)

The mol-ecular structure of the title compound, showing the atom-numbering scheme. (iucr.org)

TCs have potential utility in management of diabetic complications mediated by excessive activity of MMPs. (nih.gov)
Polarographic reduction of androsten-3-ones, androsten-7-ones, and pregnen-20-ones was carried out in aqueous dimethylformamide solution and the relationship between the half-wave potential and the nature of the conjugated ketone system, i.e., the position of the carbonyl group and the number of the double bond, was examined (Tables I, III, and IV). (go.jp)

PL12 - After 40 years of Structure-based Design, What Are We Missing? (ldorganisation.com)

Ahmadimoghaddam D, Sadeghian R, Ranjbar A, Izadidastenaei Z, Mohammadi S. Antinociceptive activity of Cnicus benedictus L. leaf extract: a mechanistic evaluation. (medlineplus.gov)

Organisms1

Chemicals and Drugs10

Analytical, Diagnostic and Therapeutic Techniques and Equipment10

Phenomena and Processes17

Disciplines and Occupations5

Humanities1

Information Science4

Inhibitors10

Synthesis4

Quantitative structure-ac1

Analogues6

Compounds9

Vitro4

Enzyme3

Potent3

Proteinase2

Structural2

Vivo2

Inhibitory activity4

Derivatives1

Phosphodiesterase2

Collagenase2

Proteins1

Cyclic2

Substituents1

Mechanisms3

Antimicrobial1

Residues2

Phosphorus1

Protein3

Enzymes2

Characteristic1

Study3

Crystal structures1

Studies5

Hybrids1

Data1

Biological activities1

Trypsin1

Histamine1

Chemical3

Good2

Higher2

Guinea-pig1

Development1

Differ2

Human3

Acid1

Tumor1

Cancer1

Functional3

Toxicological1

Suggest1

Effect1

Compound1

Potential2

Design1

Evaluation1