PMID- 37164191
OWN - NLM
STAT- MEDLINE
DCOM- 20230526
LR  - 20230526
IS  - 1879-1298 (Electronic)
IS  - 0045-6535 (Linking)
VI  - 332
DP  - 2023 Aug
TI  - A review on structural mechanisms of protein-persistent organic pollutant (POP) 
      interactions.
PG  - 138877
LID - S0045-6535(23)01144-X [pii]
LID - 10.1016/j.chemosphere.2023.138877 [doi]
AB  - With the advent of the industrial revolution, the accumulation of persistent 
      organic pollutants (POPs) in the environment has become ubiquitous. POPs are 
      halogen-containing organic molecules that accumulate, and remain in the 
      environment for a long time, thus causing toxic effects in living organisms. POPs 
      exhibit a high affinity towards biological macromolecules such as nucleic acids, 
      proteins and lipids, causing genotoxicity and impairment of homeostasis in living 
      organisms. Proteins are essential members of the biological assembly, as they 
      stipulate all necessary processes for the survival of an organism. Owing to their 
      stereochemical features, POPs and their metabolites form energetically favourable 
      complexes with proteins, as supported by biological and dose-dependent 
      toxicological studies. Although individual studies have reported the biological 
      aspects of protein-POP interactions, no comprehensive study summarizing the 
      structural mechanisms, thermodynamics and kinetics of protein-POP complexes is 
      available. The current review identifies and classifies protein-POP interaction 
      according to the structural and functional basis of proteins into five major 
      protein targets, including digestive and other enzymes, serum proteins, 
      transcription factors, transporters, and G-protein coupled receptors. Further, 
      analysis detailing the molecular interactions and structural mechanism evidenced 
      that H-bonds, van der Waals, and hydrophobic interactions essentially mediate the 
      formation of protein-POP complexes. Moreover, interaction of POPs alters the 
      protein conformation through kinetic and thermodynamic processes like competitive 
      inhibition and allostery to modulate the cellular signalling processes, resulting 
      in various pathological conditions such as cancers and inflammations. In summary, 
      the review provides a comprehensive insight into the critical 
      structural/molecular aspects of protein-POP interactions.
CI  - Copyright (c) 2023 Elsevier Ltd. All rights reserved.
FAU - Nagar, Nupur
AU  - Nagar N
AD  - Department of Biosciences and Bioengineering, Indian Institute of Technology 
      Roorkee, Roorkee, 247667, Uttarakhand, India.
FAU - Saxena, Harshi
AU  - Saxena H
AD  - Department of Biosciences and Bioengineering, Indian Institute of Technology 
      Roorkee, Roorkee, 247667, Uttarakhand, India.
FAU - Pathak, Aakanksha
AU  - Pathak A
AD  - Centre for Nanotechnology, Indian Institute of Technology Roorkee, Roorkee, 
      247667, Uttarakhand, India.
FAU - Mishra, Amit
AU  - Mishra A
AD  - Cellular and Molecular Neurobiology Unit, Indian Institute of Technology Jodhpur, 
      Jodhpur, 342011, Rajasthan, India.
FAU - Poluri, Krishna Mohan
AU  - Poluri KM
AD  - Department of Biosciences and Bioengineering, Indian Institute of Technology 
      Roorkee, Roorkee, 247667, Uttarakhand, India; Centre for Nanotechnology, Indian 
      Institute of Technology Roorkee, Roorkee, 247667, Uttarakhand, India. Electronic 
      address: krishna.poluri@bt.iitr.ac.in.
LA  - eng
PT  - Journal Article
PT  - Review
DEP - 20230508
PL  - England
TA  - Chemosphere
JT  - Chemosphere
JID - 0320657
RN  - 0 (Persistent Organic Pollutants)
RN  - 0 (Organic Chemicals)
RN  - 0 (Environmental Pollutants)
SB  - IM
MH  - *Persistent Organic Pollutants
MH  - Organic Chemicals/chemistry
MH  - *Environmental Pollutants/chemistry
OTO - NOTNLM
OT  - Allostery
OT  - Competitive binding
OT  - Conformational landscape
OT  - G-protein coupled receptors
OT  - Ion channels
OT  - Persistent organic pollutant
COIS- Declaration of competing interest The authors declare that they have no known 
      competing financial interests or personal relationships that could have appeared 
      to influence the work reported in this paper.
EDAT- 2023/05/11 00:41
MHDA- 2023/05/26 06:42
CRDT- 2023/05/10 19:25
PHST- 2023/01/15 00:00 [received]
PHST- 2023/04/20 00:00 [revised]
PHST- 2023/05/06 00:00 [accepted]
PHST- 2023/05/26 06:42 [medline]
PHST- 2023/05/11 00:41 [pubmed]
PHST- 2023/05/10 19:25 [entrez]
AID - S0045-6535(23)01144-X [pii]
AID - 10.1016/j.chemosphere.2023.138877 [doi]
PST - ppublish
SO  - Chemosphere. 2023 Aug;332:138877. doi: 10.1016/j.chemosphere.2023.138877. Epub 
      2023 May 8.