Efficient synthesis and molecular docking analysis of quinazoline and azole hybrid derivatives as promising agents for anti-cancer and anti-tuberculosis activities
Molecular docking is a computational method based on bioinformatics that simulates the
interaction dynamics of molecules such as ligands and receptors, predicting their binding …
interaction dynamics of molecules such as ligands and receptors, predicting their binding …
Investigation of novel benzimidazole-based indole/thiazole hybrids derivatives as effective anti-diabetics and anti-alzheimer's agents: Structure-activity relationship …
Alzheimer's disease (AD) and type 2 diabetes mellitus (T2DM) are common in developed
countries and their incidence is increasing. The research is mostly concentrated on the …
countries and their incidence is increasing. The research is mostly concentrated on the …
Vibrational analysis, DFT computations of spectroscopic, non-covalent analysis with molecular docking and dynamic simulation of 2-amino-4, 6-dimethyl pyrimidine …
Vibration assignments were refined through the use of normal coordinate analysis (NCA),
one of several spectroscopic computations employed in extensive investigations into the …
one of several spectroscopic computations employed in extensive investigations into the …
Synthesis, in Vitro Bio-Evaluation and in Silico Molecular Docking Studies of Thiadiazole-Based Schiff Base Derivatives
Aim: Recently, thiadiazole-containing drugs have gained greater clinical relevance and are
being explored for the development of new antidiabetic, antiurease and antimicrobial agents …
being explored for the development of new antidiabetic, antiurease and antimicrobial agents …
Anticancer potential and structure activity studies of purine and pyrimidine derivatives: an updated review
T Manna, S Maji, M Maity, B Debnath, S Panda… - Molecular Diversity, 2024 - Springer
Cancer is the world's leading cause of death impacting millions of lives globally. The
increasing research over the past several decades has focused on the development of new …
increasing research over the past several decades has focused on the development of new …
Design, synthesis, in vitro urease inhibitory potential and in silico molecular docking study of substituted thiazole bearing thiourea hybrid analogues
A new series of fourteen thiazole-thiourea hybrid analogues (1–14) were synthesized,
characterized through different techniques such as NMR, HR-EIMS and evaluated against …
characterized through different techniques such as NMR, HR-EIMS and evaluated against …
[HTML][HTML] Design, synthesis, in vitro biological assessment and in silico molecular modeling study of thiazole-thiazolidinone derivatives as potent anti-cancer agents
The current study addressed the synthesis of thiazole-based thiazolidinone derivatives (1–
18) using stepwise reaction processes, and their structure was confirmed using various …
18) using stepwise reaction processes, and their structure was confirmed using various …
In vitro and in silico correlation of bis-thiazole based Schiff base hybrids analogues: A computational approach develop to promising acetylcholinesterase and …
We have synthesized sixteen bis-thiazole based Schiff bases hybrid derivatives (1–16) and
evaluated against acetylcholinesterase and butyrylcholinesterase enzymes. All analogues …
evaluated against acetylcholinesterase and butyrylcholinesterase enzymes. All analogues …
The synthesis, in vitro bio-evaluation, and in silico molecular docking studies of pyrazoline–thiazole hybrid analogues as promising anti-α-glucosidase and anti …
In the present work, a concise library of benzothiazole-derived pyrazoline-based thiazole (1–
17) was designed and synthesized by employing a multistep reaction strategy. The newly …
17) was designed and synthesized by employing a multistep reaction strategy. The newly …
Novel bis-thiazole-thiazolidinone hybrid derivatives: Synthesis, structural properties and anticholinesterase bioactive potential as drug competitor based on docking …
A total of sixteen new derivatives of the bis-thiazole-thiazolidinone skeletal structure were
synthesized and examined for their potential as inhibitors of cholinesterase in the context of …
synthesized and examined for their potential as inhibitors of cholinesterase in the context of …