Design, synthesis, anti-proliferative evaluation, docking, and MD simulations studies of new thiazolidine-2, 4-diones targeting VEGFR-2 and apoptosis pathway
We report herein, the design and synthesis of thiazolidine-2, 4-diones derivatives as new
inhibitors for VEGFR-2. The designed members were assessed for their in vitro anticancer …
inhibitors for VEGFR-2. The designed members were assessed for their in vitro anticancer …
Protective effect of the newly synthesized and characterized charge transfer (CT) complex against arecoline induced toxicity in third-instar larvae of transgenic …
S Shakya, IM Khan, B Shakya, YH Siddique… - Journal of Materials …, 2023 - pubs.rsc.org
Agents that suppress the toxic effect of arecoline (a chemical present in the Areca nut fruit)
have become a need of the hour owing to its several harmful effects on human beings …
have become a need of the hour owing to its several harmful effects on human beings …
In silico discovery of multi-targeting inhibitors for the COVID-19 treatment by molecular docking, molecular dynamics simulation studies, and ADMET predictions
Abstract Coronavirus disease-2019 (COVID-19), a global pandemic, has currently infected
more than 247 million people around the world. Nowadays, several receptors of COVID-19 …
more than 247 million people around the world. Nowadays, several receptors of COVID-19 …
Exploring the photocatalytic activity of synthesized hydrogen bonded charge transfer co-crystal of chloranilic acid with 2-ethylimidazole: DFT, molecular docking and …
Abstract An organic donor (2-ethylimidazole) and an organic acceptor (chloranilic acid) were
used to investigate the charge transfer (CT) interaction in polar solvents. Initially, interaction …
used to investigate the charge transfer (CT) interaction in polar solvents. Initially, interaction …
Synthesis and characterization of a novel Mannich base benzimidazole derivative to explore interaction with human serum albumin and antimicrobial property …
FM Mashood Ahamed, B Shakya… - Journal of Biomolecular …, 2023 - Taylor & Francis
The novel Mannich base benzimidazole derivative (CB-1), 1-((1H-benzo [d] imidazol-1-yl)(3-
chlorophenyl) methyl)-3-phenylurea) has been designed and synthesized by reacting …
chlorophenyl) methyl)-3-phenylurea) has been designed and synthesized by reacting …
Inhibition mechanisms of four ellagitannins from terminalia chebula fruits on acetylcholinesterase by inhibition kinetics, spectroscopy and molecular docking analyses
YJ Li, CC Liang, L Jin, J Chen - Spectrochimica Acta Part A: Molecular and …, 2023 - Elsevier
Acetylcholinesterase (AChE) is an important therapeutic target for the treatment of
Alzheimer's disease (AD), and the development of natural AChE inhibitors as candidates …
Alzheimer's disease (AD), and the development of natural AChE inhibitors as candidates …
Enhancement of haloperidol binding affinity to dopamine receptor via forming a charge-transfer complex with picric acid and 7, 7, 8, 8-tetracyanoquinodimethane for …
Haloperidol (HPL) is a typical antipsychotic drug used to treat acute psychotic conditions,
delirium, and schizophrenia. Solid charge transfer (CT) products of HPL with 7, 7, 8, 8 …
delirium, and schizophrenia. Solid charge transfer (CT) products of HPL with 7, 7, 8, 8 …
Spectroscopic and molecular docking study of three kinds of cinnamic acid interaction with pepsin
S Zhu, T Wang, Y Zheng, Q Shi, Q Guo, J Zhu… - Spectrochimica Acta Part …, 2023 - Elsevier
In this work, under simulated physiological conditions (pH= 2.2, glycine hydrochloric acid
buffer solution), the interactions of cinnamic acid (CA), m-hydroxycinnamic acid (m-CA) and …
buffer solution), the interactions of cinnamic acid (CA), m-hydroxycinnamic acid (m-CA) and …
The unusual architecture of RNA-dependent RNA polymerase (RdRp)'s catalytic chamber provides a potential strategy for combination therapy against COVID-19
The unusual and interesting architecture of the catalytic chamber of the SARS-CoV-2 RNA-
dependent RNA polymerase (RdRp) was recently explored using Cryogenic Electron …
dependent RNA polymerase (RdRp) was recently explored using Cryogenic Electron …
Anticancer activities of Re (I) tricarbonyl and its imidazole-based ligands: insight from a theoretical approach
ML Matlou, H Louis, DE Charlie, EC Agwamba… - ACS …, 2023 - ACS Publications
Rhenium complexes have been observed experimentally to exhibit good inhibitory activity
against malignant cells. Hence, our motivation is to explore this activity from a theoretical …
against malignant cells. Hence, our motivation is to explore this activity from a theoretical …