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opencc-by-4.0Nov 2016View details →

Highly promiscuous compounds from PubChem assays

For the pool of 466 detected highly promiscuous compounds the PubChem ID and the corresponding ChEMBL ID(s) are provided. In addition, the detection status is set to "pains" or "aggregator" if the compound was detected as PAINS or an aggregator, respectively. Otherwise the status is set "passed". "ChEMBL analogues" lists the ChEMBL compound IDs of structural analogs of highly promiscuous compounds (if available). For the 466 compounds the number of targets and the corresponding PubChem target IDs are given in the last two columns. Compounds 1-26 (Compound No. 1-26) correspond to compounds shown in the publication.

opencc-by-4.0Dec 2016View details →

784 promiscuity cliffs from ChEMBL

Reported are the 784 promiscuity cliffs formed by compounds from medicinal chemistry sources. Compounds forming cliffs are provided as SMILES. For each compound its promiscuity degree (PD) and the list of ChEMBL target IDs are provided.

opencc-by-4.0Feb 2017View details →

High-Priority Promiscuity Cliffs from PubChem

A representative sample of 278 high-priority promiscuity cliffs identified from PubChem is provided. These promiscuity cliffs were formed by pairs of structurally analogous compounds with a difference in promiscuity degrees of at last 20 targets. These compounds were tested in at least 300 shared primary assays (SA) and showed assay similarity (AS) and assay frequency ratio (AFR) values of at least 0.85. A README file is also given.

opencc-by-4.0Dec 2021View details →

Polyphenols' Inflammation-mediated Deglucuronidation and Promiscuous-binding Behavior for Antiviral Assaying and Trialing

Dataset based on EMSKE Phytochem's pre-existing library of more than 250 Pubchem compounds that supports the research work Polyphenols’ Inflammation-mediated Deglucuronidation and Promiscuous-binding Behavior for Antiviral Assaying and Trialing. It refers to Jasial et al. 2016's dataset uploaded to Zenodo,  Jasial, S.; Hu, Y.; Bajorath, J. PubChem Compounds Tested in Primary and Confirmatory Assays, 2016 located at https://doi.org/10.5281/zenodo.44593 , which itself supports their work Jasial et al 2017:  Jasial, S.; Hu, Y.; Bajorath, J. Determining the Degree of Promiscuity of Extensively Assayed Compounds. PLOS ONE 2016, 11 (4), e0153873. https://doi.org/10.1371/journal.pone.0153873.

opencc-by-4.0Jun 2022View details →

Structure of an MHC I–tapasin–ERp57 editing complex defines chaperone promiscuity

Adaptive immunity depends on cell surface presentation of antigenic peptides by major histocompatibility complex class I (MHC I) molecules and on stringent ER quality control in the secretory pathway. The chaperone tapasin in conjunction with the oxidoreductase ERp57 is crucial for MHC I assembly and for shaping the epitope repertoire for high immunogenicity. However, how the tapasin–ERp57 complex engages MHC I clients has not yet been determined at atomic detail. Here, we present the 2.7 Å crystal structure of a tapasin–ERp57 heterodimer in complex with peptide-receptive MHC I. Our study unveils molecular details of client recognition by the multichaperone complex and highlights elements indispensable for peptide proofreading. The structure of this transient ER quality control complex provides the mechanistic basis for the selector function of tapasin and showcases how the numerous MHC I allomorphs are chaperoned during peptide loading and editing.

opencc-by-4.0Oct 2018View details →

Distinguishing between pan assay interference compounds (PAINS) that are promiscuous or represent dark chemical matter - data set and prediction models

Data sets of promiscuous PAINS (PROM_PAINS) and dark chemical matter PAINS (DCM_PAINS) are provided and support vector machine models built on the basis of original and balanced training data (see readme.txt).

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Divorce rate in birds increases with male promiscuity and migration distance

Socially monogamous birds may break up their partnership by a so-called 'divorce' behaviour. Divorce rate immensely varies across avian taxa that have a predominantly monogamous social mating system. Although a range of factors associated with divorce have been tested, broad-scale drivers of divorce rate remain contentious. Moreover, the impact of sexual roles in divorce still needs further investigation due to the conflicting interest of males and females. Here we applied phylogenetic comparative methods to analyse one of the largest datasets ever compiled that included divorce rates from published studies of 186 avian species from 25 orders and 61 families. We tested correlations between divorce rate and a group of factors: 'promiscuity' of both sexes (propensity of polygamy), migration distance, and adult mortality. Our results showed that only male promiscuity, but not female promiscuity, had a positive relationship with divorce rate. Furthermore, migration distance was positively correlated with divorce rate, while adult mortality rate showed no direct relationship with divorce rate. These findings indicated that divorce might not be a simple adaptive (by sexual selection) or non-adaptive strategy (by accidental loss of a partner), but could be a mixed response to sexual conflict and stress from the ambient environment.

opencc-zeroFeb 2023View details →

opencc-by-4.0Aug 2023View details →

Supplementary dataset for Enzyme promiscuous profiles for protein sequence and reaction annotation

The data and scripts used to produce, analyze, and visualize the results of the manuscript Enzyme promiscuous profiles for protein sequence and reaction annotation by Homa MohammadiPeyhani, Anastasia Sveshnikova, Ljubisa Miskovic, and Vassily Hatzimanikatis. The detailed description of the datafiles and scripts is provided in the accompanying README.rtf file.

dryad40/100

Divorce rate in birds increases with male promiscuity and migration distance

Open the record for dataset details and reuse information.

publicFeb 2023View details →

dryad40/100

Data from: Agonistic song rate positively correlates with male breeding success and avian malaria infection in Acrocephalus paludicola (Aquatic Warbler), a promiscuous songbird with female-only parental care

Open the record for dataset details and reuse information.

publicAug 2024View details →

opencc-zeroApr 2024View details →

GPS tracking data for: Male mating season range expansion results from an increase in scale of daily movements for a polygynous-promiscuous bird

Males of species with promiscuous mating systems are commonly observed to use larger ranges during the mating season relative to non-mating seasons, which is often attributed to a change in movements related to reproductive activities. However, few studies link seasonal range sizes to variations in daily space use patterns to provide insight into the behavioral mechanisms underlying mating season range expansion. We studied 20 GPS-tagged male wild turkeys (Meleagris gallopavo), a large upland gamebird, during the mating and summer non-mating seasons to test the hypothesis that larger mating season ranges resulted from male wild turkeys expanding the scale of daily movement activities to locate and court females. We delineated mating and non-mating seasons based on the intensity of gobbling, a vocalization tied to courtship behavior, recorded by autonomous recording units distributed across the study area. Mating season ranges were significantly larger than non-mating season ranges. Daily ranges were larger in the mating season, as were distances between roost sites used on consecutive nights. Variance in daily range size was greater in the mating season, but low temporal autocorrelation suggested considerable daily variability in both seasons. We found no evidence that male wild turkeys changed how they distributed daily movements within seasonal ranges, or differences in habitat use, suggesting larger mating season ranges result from male wild turkeys increasing the scale of their daily movements, rather than a systematic shift to a nomadic movement strategy. Likely, the distribution of females is more dynamic and ephemeral compared to other resources, prompting males to traverse larger daily ranges during the mating season to locate and court females. Our work illustrates the utility of using daily movement to understand the behavioral process underlying larger space use patterns.

opencc-zeroMay 2024View details →

Data from: Molecular sibship reconstruction reveals a promiscuous mating system in brood parasitic little bronze-cuckoos (Chalcites minutillus)

In theory, emancipation from parental care is expected to favour promiscuous mating systems. However, in avian brood parasites monogamy is surprisingly widespread and it has been proposed that this may be favoured by factors such as low population density and territoriality. Correspondingly, our previous research revealed that brood parasitic Horsfield's bronze-cuckoos (Chalcites basalis), which occur at low population densities and defend territories, are monogamous. Here, we contrast this study with the mating system of the congeneric little bronze-cuckoo (C. minutillus), an obligate brood parasite that exploits more concentrated hosts and is therefore likely to occur at higher population densities. We use single nucleotide polymorphisms to characterise the reproductive patterns of unsampled adults by inferring sibling relationships among 30 offspring. We show that 1) little bronze-cuckoos occurred at high densities, 2) polygamy was the most common mating pattern found in this study in both sexes, and 3) where multiple cuckoo eggs are laid in the same nest, they were unrelated. These results indicate that females do not defend exclusive territories and males do not defend multiple females (polygyny). Instead, little bronze-cuckoos appear to have a non-territorial, promiscuous mating system. Our results are consistent with theoretical predictions that polygamy is more likely to evolve in species that are emancipated from parental care, where there are plenty of available mates and where home ranges are not defended.

opencc-by-4.0Nov 2019View details →

Promiscuous compounds with activity against different target classes

Reported are 1063 promiscuous compounds with activity against multiple target classes identified in PubChem. The tab-separated file consists of four columns: - cid: compound identifier (CID) from PubChem - NonstereoAromaticSMILES: SMILES representation of a compound - Number_of_tested_targets: total number of targets a compound was tested against in PubChem - PD: promiscuity degree (PD) of a compound, defined as the number of targets it was found active against

opencc-by-4.0Jan 2023View details →

MCL-1 promiscuity and the structural resilience of its binding partners - DATA

Data supporting: "MCL-1 promiscuity and the structural resilience of its binding partners"; Journal of Chemical Physics (JCP); 2023.

opencc-by-4.0May 2023View details →

Promiscuity and quantitative contribution of UGT2B17 in drug and steroid metabolism determined by experimental and computational approaches

Input and parameter files used for the publication "Promiscuity and quantitative contribution of UGT2B17 in drug and steroid metabolism determined by experimental and computational approaches" #1. Smile notations of UGT2B17 substrates and non-substrates #2. Pharmacophore(.ph4) hypothesis files for representative compounds; Dicofenac, vorinostat and carvedilol. #3. Simulation input files - topology and molecular dynamics parameters (Vorinostat as a representative example).

openother-openSep 2023View details →

OMaraLab/OCT1_2023: Structural Basis of Promiscuous Substrate Transport in Organic Cation Transporter 1 - MD DATA

Molecular dynamics trajectory data relating to Structural Basis of Promiscuous Substrate Transport in Organic Cation Transporter 1, by Yi C. Zeng, Meghna Sobti, Ada Quinn, Nicola J. Smith, Simon H. J. Brown, Jamie I. Vandenberg, Renae M. Ryan, Megan L. O'Mara & Alastair G. Stewart.

opencc-zeroSep 2023View details →

High promiscuity among females of the invasive pest species Drosophila suzukii

Drosophila suzukii (Matsumura, 1931), the spotted-wing drosophila, is a highly invasive fruit fly that spread from Southern Asia across most regions of Asia, and in the last fifteen years has invaded Europe and the Americas. It is an economically important pest of small fruits such as berries and stone fruits. Drosophila suzukii speciated by adapting to cooler, mountainous and forest environments. In temperate regions, it evolved seasonal polyphenism traits which enhanced its survival during stressful winter population bottlenecks. Consequently, in these temperate regions, the populations undergo seasonal reproductive dynamics. Despite its economic importance, no data are available on the behavioural reproductive strategies of this fly. The presence of polyandry, for example, has not been determined despite the important role it might play in the reproductive dynamics of the populations. We explored the presence of polyandry in an established population in Trentino, a region in North Italy. In this area, D. suzukii overcomes the winter bottleneck and undergoes a seasonal reproductive fluctuation. We observed a high remating frequency in females during the late spring demographic explosion that led to the abundant summer population. The presence of a high degree of polyandry and shared paternity associated with the post-winter population increase raises the question of the possible evolutionary adaptive role of this reproductive behaviour in D. suzukii.