Evidence map›Paper›PMID 35423749›Full record

ArticleRSC advances2021

Engineering the biomimetic cofactors of NMNH for cytochrome P450 BM3 based on binding conformation refinement.

Yao Liu, Yalong Cong, Chuanxi Zhang, Bohuan Fang, Yue Pan, Qiangzi Li, Chun You, Bei Gao, John Z H Zhang, Tong Zhu and 1 more

Open access · goldAbstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in RSC advances, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing papers in PubMed
0.9field-weighted citation impact, top 28% 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

3 citing papers in PubMed, 8 citations in OpenAlex.

  1. Article
  2. Article
  3. 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

11 authors at 4 institutions in 2 countries.

Yao LiuShanghai Engineering Research Center of Molecular Therapeutics & New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University Shanghai 200062 China tzhu@lps.ecnu.edu.cn ljzhang@chem.ecnu.edu.cn.ORCID https://orcid.org/0000-0003-3615-9622
Yalong CongShanghai Engineering Research Center of Molecular Therapeutics & New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University Shanghai 200062 China tzhu@lps.ecnu.edu.cn ljzhang@chem.ecnu.edu.cn.ORCID https://orcid.org/0000-0002-0910-811X
Chuanxi ZhangSchool of Biotechnology, East China University of Science and Technology Shanghai 200237 China.
Bohuan FangShanghai Engineering Research Center of Molecular Therapeutics & New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University Shanghai 200062 China tzhu@lps.ecnu.edu.cn ljzhang@chem.ecnu.edu.cn.
Yue PanShanghai Engineering Research Center of Molecular Therapeutics & New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University Shanghai 200062 China tzhu@lps.ecnu.edu.cn ljzhang@chem.ecnu.edu.cn.
Qiangzi LiUniversity of Chinese Academy of Sciences 19A Yuquan Road, Shijingshan District Beijing 100049 P. R. China.
Chun YouUniversity of Chinese Academy of Sciences 19A Yuquan Road, Shijingshan District Beijing 100049 P. R. China.
Bei GaoSchool of Biotechnology, East China University of Science and Technology Shanghai 200237 China.ORCID https://orcid.org/0000-0002-1506-6198
John Z H ZhangShanghai Engineering Research Center of Molecular Therapeutics & New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University Shanghai 200062 China tzhu@lps.ecnu.edu.cn ljzhang@chem.ecnu.edu.cn.ORCID https://orcid.org/0000-0003-2853-7910
Tong ZhuShanghai Engineering Research Center of Molecular Therapeutics & New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University Shanghai 200062 China tzhu@lps.ecnu.edu.cn ljzhang@chem.ecnu.edu.cn.ORCID https://orcid.org/0000-0001-7472-3736
Lujia ZhangShanghai Engineering Research Center of Molecular Therapeutics & New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University Shanghai 200062 China tzhu@lps.ecnu.edu.cn ljzhang@chem.ecnu.edu.cn.ORCID https://orcid.org/0000-0003-3566-917X
East China Normal University · CNNew York University Shanghai · CNChinese Academy of Sciences · CNEast China University of Science and Technology · CN

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Cytochrome P450 BM3 (BM3) is an important oxidoreductase that is widely used in drug synthesis, chemical synthesis, and other industries. However, as BM3 unquestionably increases costs by consuming a natural cofactor that unstably provides electrons, an alternative biomimetic cofactor with simpler structures represented by nicotinamide mononucleotide (NMNH) has been utilized. Currently, few reports exist on artificially modified BM3 enzymes using NMNH, especially regarding theoretical simulation and calculation. With the cognition of the mechanism in mind, we propose a strategy that optimizes and refines catalytic conformation. Based on constrained molecular dynamics simulation, the distance between N-5 of FAD flavin and C-4 of NMNH is used as a cue for the determination of improved conformation, and the potential positive mutants are subsequently screened virtually in accordance with binding free energy requirements. As a result, the

Identifiers

PMID35423749
PMCPMC8696588
OpenAlexW3139128244

What Socratic holds

Textmetadata
LicenceCC BY-NC
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 Socratic graph.