Evidence map›Paper›PMID 35209023›Full record

ArticleMolecules (Basel, Switzerland)2022

New Blood Coagulation Factor XIIa Inhibitors: Molecular Modeling, Synthesis, and Experimental Confirmation.

Anna Tashchilova, Nadezhda Podoplelova, Alexey Sulimov, Danil Kutov, Ivan Ilin, Mikhail Panteleev, Khidmet Shikhaliev, Svetlana Medvedeva, Nadezhda Novichikhina, Andrey Potapov and 1 more

Open access · goldAbstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing papers in PubMed
2.6field-weighted citation impact, top 10% 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

6 citing papers in PubMed, 18 citations in OpenAlex.

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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

11 authors at 3 institutions in 1 country.

Anna TashchilovaDimonta, Ltd., 117186 Moscow, Russia.
Nadezhda PodoplelovaRussian Children's Clinical Hospital of the Pirogov Russian National Research Medical University of the Ministry of Healthcare of the Russian Federation, 119571 Moscow, Russia.
Alexey SulimovDimonta, Ltd., 117186 Moscow, Russia.
Danil KutovDimonta, Ltd., 117186 Moscow, Russia.ORCID 0000-0002-4777-6522
Ivan IlinDimonta, Ltd., 117186 Moscow, Russia.
Mikhail PanteleevRussian Children's Clinical Hospital of the Pirogov Russian National Research Medical University of the Ministry of Healthcare of the Russian Federation, 119571 Moscow, Russia.
Khidmet ShikhalievDepartment of Organic Chemistry, Faculty of Chemistry, Voronezh State University, 1 Universitetskaya sq., 394018 Voronezh, Russia.
Svetlana MedvedevaDepartment of Organic Chemistry, Faculty of Chemistry, Voronezh State University, 1 Universitetskaya sq., 394018 Voronezh, Russia.ORCID 0000-0003-0073-1084
Nadezhda NovichikhinaDepartment of Organic Chemistry, Faculty of Chemistry, Voronezh State University, 1 Universitetskaya sq., 394018 Voronezh, Russia.
Andrey PotapovDepartment of Organic Chemistry, Faculty of Chemistry, Voronezh State University, 1 Universitetskaya sq., 394018 Voronezh, Russia.
Vladimir SulimovDimonta, Ltd., 117186 Moscow, Russia.
Lomonosov Moscow State University · RUVoronezh State University · RUPirogov Russian National Research Medical University · RU

Funding

Russian Science Foundation 21-71-20031
6 · The paper itself

Abstract

In the modern world, complications caused by disorders in the blood coagulation system are found in almost all areas of medicine. Thus, the development of new, more advanced drugs that can prevent pathological conditions without disrupting normal hemostasis is an urgent task. The blood coagulation factor XIIa is one of the most promising therapeutic targets for the development of anticoagulants based on its inhibitors. The initial stage of drug development is directly related to computational methods of searching for a lead compound. In this study, docking followed by quantum chemical calculations was used to search for noncovalent low-molecular-weight factor XIIa inhibitors in a focused library of druglike compounds. As a result of the study, four low-molecular-weight compounds were experimentally confirmed as factor XIIa inhibitors. Selectivity testing revealed that two of the identified factor XIIa inhibitors were selective over the coagulation factors Xa and XIa.

Indexed as

Blood ProteinsFactor XIIaMolecular Docking SimulationHumansBlood ProteinsFactor XIIafactor XIIa inhibitoranticoagulantscoagulation factor XIIadockingprotein-ligand bindingquantum chemistry

Identifiers

PMID35209023
PMCPMC8876603
OpenAlexW4213368587

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.