DFT Calculations and In Silico Studies on the Schiff base derivatives with Antibacterial Activities
Journal Title: Asian Journal of Pharamceutical and Clinical Research - Year 2019, Vol 12, Issue 5
Abstract
Abstract The heterocyclic Schiff bases (N1Z,N4Z)-N1,N4-bis(3,4-methoxyphenyl)methylidene) benzene-1,4-diamine (1), (N1Z,N4Z)-N1,N4-bis(4-bromobenzylidene)benzene-1,4-diamine (2) and (N1Z,N4Z)-N1,N4-bis(furan-2-ylmethyliden)benzene-1,4-diamine (1) were synthesized by the reported procedure. The molecular structure of the compounds (1‒3) was characterized by FT‒IR and 1H NMR. The bond length, bond angle and HOMO‒LUMO energy gap were calculated out by DFT calculations. The synthesized heterocyclic compounds (1‒3) were screened for their antibacterial activity against Staphylococcus aureus and Escherichia coli. The compound 3 displays superior antibacterial activity compared to standard drug Streptomycin. All the compounds significantly interact with antibacterial protein beta-ketoacyl-acp synthase III and anticancer protein c-Kit tyrosine kinase via p–p, σ–p, hydrogen bonding, electrostatic and van der Waals interactions.
Authors and Affiliations
Arthi P
Keywords
Related Articles
- EP ID EP604764
- DOI -
- Views 125
- Downloads 0
PARTIAL CHARACTERIZATION AND ANTIMICROBIAL PROPERTY OF SMALL PEPTIDES ISOLATED FROM THE FLOWERS OF MILLINGTONIA HORTENSIS
Objective: The flowers of Millingtonia hortensis were initially screened for the presence of Cu (II) ninhydrin-positive compounds. Purification and characterization of small alpha peptides from the flowers of M. hortensi...
ENCAPSULATION OF IBUPROFEN INTO SOLID LIPID NANOPARTICLES FOR CONTROLLED AND SUSTAINED RELEASE USING EMULSIFICATION SOLVENT EVAPORATION TECHNIQUE
Objective: The objective of the study was to encapsulate ibuprofen (IBU) into solid lipid nanoparticles (SLNs) for enhanced dissolution and achieving a sustained and controlled release of the drug from the nanocarrier....
DEVELOPMENT AND IN VITRO–IN VIVO EVALUATION OF GASTRORETENTIVE FLOATING TABLETS OF AN ANTIRETROVIRAL AGENT RITONAVIR
Objective: The present research work concerns the development of the extended release of Ritonavir floating matrix tablets, designed to prolong the gastric residence time, increase the drug bioavailability, and diminish...
EFFECTIVENESS OF VAGINAL CONE THERAPY ON URINARY INCONTINENCE AMONG WOMEN IN SAVEETHA MEDICAL COLLEGE HOSPITAL, THANDALAM, CHENNAI
Objectives: The present aims to assess the level of urinary incontinence in experimental and control group, to assess the effectiveness of vaginal cone therapy on urinary incontinence in experimental group and cont...
EPIDEMIOLOGIC ASPECTS OF TRAUMA IN AL-JOUF REGION, SAUDI ARABIA: A RETROSPECTIVE STUDY
Objectives: This study aimed to determine the types, characteristics, and associated factors of trauma in Al-Jouf Region which is located in Northern part of Saudi Arabia. Methods: The present study was conducted in the...