Synthesis, biological activities and docking studies of piperazine incorporated 1, 3, 4-oxadiazole derivatives

S Bhati, V Kumar, S Singh, J Singh - Journal of Molecular Structure, 2019 - Elsevier
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 …

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 …

Structure-based optimization of azole antifungal agents by CoMFA, CoMSIA, and molecular docking

C Sheng, W Zhang, H Ji, M Zhang, Y Song… - Journal of medicinal …, 2006 - ACS Publications
In a continuing effort to develop highly potent azole antifungal agents, the three-dimensional
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 …

Deep learning approach to the discovery of novel bisbenzazole derivatives for antimicrobial effect

T Barcin, MA Yucel, RH Ersan, MA Alagoz… - Journal of Molecular …, 2024 - Elsevier
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 …

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 …

Design, synthesis, DFT, docking studies and ADME prediction of some new coumarinyl linked pyrazolylthiazoles: Potential standalone or adjuvant antimicrobial …

S Kumar, V Saini, IK Maurya, J Sindhu, M Kumari… - PloS one, 2018 - journals.plos.org
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 …

Synthesis, Molecular Docking Studies, and Antifungal Activity Evaluation of New Benzimidazole‐Triazoles as Potential Lanosterol 14α‐Demethylase Inhibitors

NÖ Can, U Acar Çevik, BN Sağlık, S Levent… - Journal of …, 2017 - Wiley Online Library
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 …

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 …

Design, synthesis, molecular docking and biological evaluation of new carbazole derivatives as anticancer, and antioxidant agents

İ Çapan, M Hawash, N Jaradat, Y Sert, R Servi, İ Koca - BMC chemistry, 2023 - Springer
Background The carbazole skeleton is an important structural motif occurring naturally or
synthesized chemically and has antihistaminic, antioxidant, antitumor, antimicrobial, and anti …