title: Pharmacological evaluation of poly(3-methylthiophene) and its titanium(IV)phosphate nanocomposite: DNA interaction, molecular docking, and cytotoxic activity.
abstract: Cancer and pathogenic microbial diseases have terribly affected human health over a longer period of time. In response to the increasing casualties due to cancer and microbial diseases, unique poly(3-methylthiophene) and poly(3-methylthiophene)-titanium(IV)phosphate composite were prepared via in-situ oxidative chemical polymerization in this work. The poly(3-methylthiophene) and poly(3-methylthiophene)-titanium(IV)phosphate composite were well characterized by Fourier transform infrared spectroscopy and field emission scanning electron microscopy. DNA binding studies by UV-Visible and fluorescence spectroscopic investigations indicated strong binding affinities of poly(3-methylthiophene) and poly(3-methylthiophene)-titanium(IV)phosphate nanocomposite; leading to structural damage of DNA. Poly(3-methylthiophene)-titanium(IV)phosphate nanocomposite showed stronger interactions with DNA as compared to poly(3-methylthiophene) and from dye displacement assay it was confirmed that mode of binding of both the formulations was intercalative. The antimicrobial screening revealed that polymer and its composite displayed stronger antibacterial effects than ampicillin against Bacillus subtilis, Staphylococcus aureus, Pseudomonas aeruginosa and Salmonella typhimurium. Besides, the poly(3-methylthiophene) and poly(3-methylthiophene)-titanium(IV)phosphate nanocomposite showed dose dependent effects towards estrogen receptor positive breast cancer (MCF-7) and estrogen receptor negative breast cancer (MDA-MB-231) cell lines; with poly(3-methylthiophene)-titanium(IV)phosphate nanocomposite showing better activities against both cell lines. In all in-vitro biological investigations, poly(3-methylthiophene)-titanium(IV)phosphate composite showed superior properties to that of the pure poly(3-methylthiophene), which encouraged us to suggest its potential as future therapeutic gear in drug delivery and other allied fields.
authors.affiliation: Center of Excellence for Scientific Research Collaboration with MIT, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia; Laser Research Group, Physics Department & Center of Excellence in Nanotechnology, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia.
authors.forename: Umair
authors.initials: U
authors.lastname: Baig
authors.affiliation: Laser Research Group, Physics Department & Center of Excellence in Nanotechnology, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia. Electronic address: magondal@kfupm.edu.sa.
authors.forename: M A
authors.initials: MA
authors.lastname: Gondal
authors.affiliation: Interdisciplinary Biotechnology Unit, Aligarh Muslim University, Aligarh 202002, UP, India.
authors.forename: Md Fazle
authors.initials: MF
authors.lastname: Alam
authors.affiliation: Institute of Bioproduct Development, Universiti Teknologi Malaysia, 81310 UTM Skudai, Johor, Malaysia.
authors.forename: Waseem A
authors.initials: WA
authors.lastname: Wani
authors.affiliation: Interdisciplinary Biotechnology Unit, Aligarh Muslim University, Aligarh 202002, UP, India.
authors.forename: Hina
authors.initials: H
authors.lastname: Younus
mesh_terms: D045744:Cell Line, Tumor; D004247:DNA / Q000737:chemistry*; D004354:Drug Screening Assays, Antitumor; D006801:Humans; D008855:Microscopy, Electron, Scanning; D062105:Molecular Docking Simulation; D053761:Nanocomposites; D011108:Polymers / Q000494:pharmacology*; D013050:Spectrometry, Fluorescence; D013056:Spectrophotometry, Ultraviolet; D017550:Spectroscopy, Fourier Transform Infrared; D013876:Thiophenes / Q000494:pharmacology*; D014025:Titanium / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D011108:Polymers; D013876:Thiophenes; C062788:poly(3-methylthiophene); D004247:DNA; D014025:Titanium
keywords: Antimicrobial activity; DNA binding; Molecular docking simulation; Polymer; Polymeric nanocomposite