Synthesis, biological activities and docking studies of piperazine incorporated 1, 3, 4-oxadiazole derivatives
Abstract New series of 1, 3, 4-oxadiazoles incorporating piperazine scaffolds in a single
molecular framework has been reported. The structures of the synthesized derivatives were …
molecular framework has been reported. The structures of the synthesized derivatives were …
Design, synthesis, in vitro anticancer and antimicrobial evaluation, SAR analysis, molecular docking and dynamic simulation of new pyrazoles, triazoles and …
HA Radwan, I Ahmad, IMM Othman… - Journal of Molecular …, 2022 - Elsevier
A new series of pyrazoles, triazoles and pyridazines based isoxazole were synthesized, and
well characterized. Their antibacterial, antifungal and cytotoxic activities were successfully …
well characterized. Their antibacterial, antifungal and cytotoxic activities were successfully …
Structure-based optimization of azole antifungal agents by CoMFA, CoMSIA, and molecular docking
In a continuing effort to develop highly potent azole antifungal agents, the three-dimensional
quantitative structure− activity relationship methods, CoMFA and CoMSIA, were applied …
quantitative structure− activity relationship methods, CoMFA and CoMSIA, were applied …
Multicomponent synthesis, DFT calculations and molecular docking studies of novel thiazolyl-pyridazinones as potential antimicrobial agents against antibiotic …
S Abu-Melha, ZA Muhammad, AS Abouzid… - Journal of Molecular …, 2021 - Elsevier
Novel series of aryl (hetaryl) thiazolylpyridazinedione derivatives were synthesized via one-
pot three-component synthesis of maleic anhydride, thiosemicarbazide and the appropriate …
pot three-component synthesis of maleic anhydride, thiosemicarbazide and the appropriate …
Deep learning approach to the discovery of novel bisbenzazole derivatives for antimicrobial effect
Because of the growing bacterial resistance to antibiotics, the discovery of new antibiotics is
critical. The search for new antimicrobial drugs that are effective in treating new and existing …
critical. The search for new antimicrobial drugs that are effective in treating new and existing …
Synthesis, Structure-Activity Relationships (SAR) and in Silico Studies of Coumarin Derivatives with Antifungal Activity
RSA De Araújo, FQS Guerra, E de O. Lima… - International journal of …, 2013 - mdpi.com
The increased incidence of opportunistic fungal infections, associated with greater
resistance to the antifungal drugs currently in use has highlighted the need for new …
resistance to the antifungal drugs currently in use has highlighted the need for new …
Design, synthesis, DFT, docking studies and ADME prediction of some new coumarinyl linked pyrazolylthiazoles: Potential standalone or adjuvant antimicrobial …
The control of antimicrobial resistance (AMR) seems to have come to a dead end. The major
consequences of the use and abuse of antibacterial drugs are the development of resistant …
consequences of the use and abuse of antibacterial drugs are the development of resistant …
Synthesis, Molecular Docking Studies, and Antifungal Activity Evaluation of New Benzimidazole‐Triazoles as Potential Lanosterol 14α‐Demethylase Inhibitors
Due to anticandidal importance of azole compounds, a new series of benzimidazole‐triazole
derivatives (5a–5s) were designed and synthesized as ergosterol inhibitors. The chemical …
derivatives (5a–5s) were designed and synthesized as ergosterol inhibitors. The chemical …
Synthesis, bioactivities, DFT and in-silico appraisal of azo clubbed benzothiazole derivatives
CW Ghanavatkar, VR Mishra, SN Mali… - Journal of Molecular …, 2019 - Elsevier
Six new azo clubbed benzothiazole dyes were synthesized by diazotization reaction. These
six novel compounds were characterized using 1 H NMR, FTIR, UV–Visible, fluorescence …
six novel compounds were characterized using 1 H NMR, FTIR, UV–Visible, fluorescence …
Design, synthesis, molecular docking and biological evaluation of new carbazole derivatives as anticancer, and antioxidant agents
Background The carbazole skeleton is an important structural motif occurring naturally or
synthesized chemically and has antihistaminic, antioxidant, antitumor, antimicrobial, and anti …
synthesized chemically and has antihistaminic, antioxidant, antitumor, antimicrobial, and anti …