Efficient dye degradation in the presence of reducing agent and bactericidal behavior with in silico molecular docking of z-scheme P3HT/g-C3N4 doped CuO heterojunction

Hafsa Saeed, Muhammad Ikram*, Ali Haider, Sadia Naz, Anwar Ul-Hamid, Walid Nabgan, Junaid Haider, S. M. Ibrahim, Hameed Ullah, Sherdil Khan

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

The present study aims to synthesize z-scheme heterojunction of graphitic carbon nitride (g-C3N4; poly 3-hexylthiophene (P3HT) doped CuO nanorods (NRs) by co-precipitation technique. Characterizations succeeded in evaluating their catalytic and antimicrobial activities. XRD investigation revealed monoclinic crystal phase of CuO. Electronic spectra identified blue shift by incorporating P3HT and g-C3N4 led to an increment in band gap energy. FTIR spectra proclaimed the existence of rotational and vibrational modes associated with the functional groups during synthesis activity. Catalytic degradation of toxic methylene blue (MB) was revealed by synthesized NRs in neutral, basic and acidic media. CuO NRs doped with (2 & 4%) g-C3N4/P3HT demonstrated promising anti-bacterial tendency against multiple drug resistant (MDR) Escherichia coli (E.coli). Furthermore, in silico molecular docking predictions of P3HT/CuO and g-C3N4 were performed against DHFRE.coli and FabIE.coli to rationale their role as possible inhibitors against these enzyme targets.

Original languageEnglish
Article number102804
JournalSurfaces and Interfaces
Volume38
DOIs
StatePublished - Jun 2023

Bibliographical note

Publisher Copyright:
© 2023 Elsevier B.V.

Keywords

  • Anti-microbial activity
  • Catalytic activity
  • Molecular docking analysis
  • Nanorods
  • z-scheme

ASJC Scopus subject areas

  • Surfaces, Coatings and Films

Fingerprint

Dive into the research topics of 'Efficient dye degradation in the presence of reducing agent and bactericidal behavior with in silico molecular docking of z-scheme P3HT/g-C3N4 doped CuO heterojunction'. Together they form a unique fingerprint.

Cite this