Evidence map›Paper›PMID 31949906›Full record

ArticleIUCrJ2020

Charge density view on bicalutamide molecular interactions in the monoclinic polymorph and androgen receptor binding pocket.

Alexander A Korlyukov, Maura Malinska, Anna V Vologzhanina, Mikhail S Goizman, Damian Trzybinski, Krzysztof Wozniak

Open access · goldAbstract read
In one paragraph

Article in IUCrJ, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing papers in PubMed
1.8field-weighted citation impact, top 14% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

5 citing papers in PubMed, 18 citations in OpenAlex.

  1. Article
  2. Review
  3. Article
  4. Article
  5. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors at 2 institutions in 2 countries.

Alexander A KorlyukovA. N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Vavilov St. 28, Moscow 119991, Russian Federation.ORCID https://orcid.org/0000-0002-5600-9886
Maura MalinskaBiological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Żwirki i Wigury 101, Warszawa 02089, Poland.ORCID https://orcid.org/0000-0002-7138-7041
Anna V VologzhaninaA. N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Vavilov St. 28, Moscow 119991, Russian Federation.ORCID https://orcid.org/0000-0002-6228-303X
Mikhail S GoizmanDrug Technology Co, 2a Rabochaya Street, Chimki, Moscow Oblast 141400, Russian Federation.
Damian TrzybinskiBiological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Żwirki i Wigury 101, Warszawa 02089, Poland.ORCID https://orcid.org/0000-0003-3920-5532
Krzysztof WozniakBiological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Żwirki i Wigury 101, Warszawa 02089, Poland.ORCID https://orcid.org/0000-0002-0277-294X
University of Warsaw · PLA. N. Nesmeyanov Institute of Organoelement Compounds · RU

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

High-resolution single-crystal X-ray measurements of the monoclinic polymorph of bicalutamide and the aspherical atom databank approach have served as a basis for a reconstruction of the charge density distribution of the drug and its androgen receptor (AR) and albumin complexes. The contributions of various types of intermolecular interactions to the total crystal energy or ligand:AR energy were estimated. The cyan and amide groups secured the ligand placement in the albumin (Lys-137) and the AR binding pocket (Leu-704, Asn-705, Arg-752), and also determined the packing of the small-molecule crystals. The total electrostatic interaction energy on average was -230 kJ mol

Indexed as

drug discoveryintermolecular interactionsprotein structuresstructure determinationX-ray crystallography

Identifiers

PMID31949906
PMCPMC6949590
OpenAlexW2995085146

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.