Designing and screening of fluoroquinolone substitutes using combined in silico approaches: Biological metabolism–bioconcentration bilateral selection and their …

Q Pu, Z Han, X Li, Q Li, Y Li - Green Chemistry, 2022 - pubs.rsc.org
The study was aimed to design fluoroquinolone (FQ) substitutes, improve the biological
metabolism and concentration ability of fluoroquinolones (FQs) drug from the perspective of …

Molecular design of high-efficacy and high drug safety Fluoroquinolones suitable for a variety of aerobic biodegradation bacteria

X Li, Y Hou, Q Li, W Gu, Y Li - Journal of Environmental Management, 2021 - Elsevier
The present study attempted to improve the biodegradation removal rate of
Fluoroquinolones (FQs) in sewage treatment plants. The similarity index analysis (CoMSIA) …

Molecular design of environment-friendly amide herbicide substitutes with high efficacy, low phytotoxicity and medication safety

F Wu, Z Wang, X Li, Q Pu, Y Wu, N Cao… - Journal of Hazardous …, 2024 - Elsevier
The primary goal of this investigation was to formulate an ecologically sustainable
alternative to amide herbicides (AHs) characterized by robust herbicidal effectiveness …

Multi-process regulation of novel brominated flame retardants: Environmentally friendly substitute design, screening and environmental risk regulation

Y Wu, A Fenech, X Li, W Gu, Y Li - Environmental Research, 2023 - Elsevier
Novel brominated flame retardants (NBFRs), one of the most widely used synthetic flame-
retardant materials, have been considered as a new group of pollutants that potentially affect …

A modified 3D-QSAR model based on ideal point method and its application in the molecular modification of plasticizers with flame retardancy and eco-friendliness

H Zhang, C Zhao, H Na - Polymers, 2020 - mdpi.com
The addition of plasticizers makes plastics flammable, and thus, poses a potential risk to the
environment. In previous researches, plasticizers with flame retardancy had been …

Optimization of Pharmacophore of Novel Hybrid Nucleus of 1, 3, 4-oxadiazole-chalcone using Literature Findings and In silico Approach as EGFR Inhibitor

SM Patil, SV Bhandari - Letters in Drug Design & Discovery, 2023 - ingentaconnect.com
Background: Cancer is a leading cause of death worldwide. EGFR is one of the important
targets considered for current chemotherapeutic agents. The problem of drug resistance can …

Insecticidal activity of phenolic acid amides against brown planthopper (BPH), Nilaparvata lugens (Stål) and their QSAR analysis

P Kaushik, DJ Sarkar, S Chander… - … Science and Health …, 2019 - Taylor & Francis
A series of 42 phenolic acid amides, synthesized using different phenolic acids (salicylic
acid, 3-hydroxy cinnamic acid, p-coumaric acid, caffeic acid, ferulic acid, o-coumaric acid …

Synthesis, Molecular Docking and Invitro Evaluation of Nipecotic Acid-Flavone Hybrids as Anti Alzheimer Agents.–A Multi Target Directed Ligand Approach

K Dhunmati, CN Nalini, N Ramalakshmi… - Journal of …, 2022 - pnrjournal.com
Aim: The present study aims to develop novel anti Alzheimer agents that can act on multi
targets and can therefore alleviate age related disorders. Methods and Materials: 10 …

[CITATION][C] Synthesis, Molecular Docking and Invitro Evaluation of Nipecotic Acid-Flavone Hybrids as Anti Alzheimer Agents.–A Multi Target Directed Ligand …

CN Nalini, K Dhunmati, N Ramalakshmi, V Niraimathi…