An overview on applications of SwissADME web tool in the design and development of anticancer, antitubercular and antimicrobial agents: A medicinal chemist's …

B Bakchi, AD Krishna, E Sreecharan… - Journal of Molecular …, 2022 - Elsevier
Recently, in silico techniques have gained tremendous popularity in the field of small
molecule drug discovery. The computational jobs include not only hit generation, lead …

Imidazoles as potential anticancer agents: An update on recent studies

P Sharma, C LaRosa, J Antwi, R Govindarajan… - Molecules, 2021 - mdpi.com
Nitrogen-containing heterocyclic rings are common structural components of marketed
drugs. Among these heterocycles, imidazole/fused imidazole rings are present in a wide …

Benzimidazole‐based protein kinase inhibitors: Current perspectives in targeted cancer therapy

AM Ali, SS Tawfik, AS Mostafa… - Chemical Biology & …, 2022 - Wiley Online Library
Targeted therapy has emerged to be the cornerstone of advanced cancer treatment,
allowing for more selectivity and avoiding the common drug toxicity and resistance …

Aminopyridone-linked benzimidazoles: a fragment-based drug design for the development of CDK9 inhibitors

EM Husseiny, HS Abulkhair, SSA El-Hddad… - Future Medicinal …, 2023 - Taylor & Francis
Aim: A fragment-based design and synthesis of three novel series of aminopyridone-linked
benzimidazoles as potential anticancer candidates with significant CDK9 inhibition was …

Crystal structure, Hirshfeld surface analysis and computational study of three 2-(4-arylthiazol-2-yl) isoindoline-1, 3-dione derivatives

HA Ghabbour, AM Fahim, MA Abu El-Enin… - … Crystals and Liquid …, 2022 - Taylor & Francis
In these studies, we investigated the importance of isoindoline in pharmacological
evaluation, so we studied the crystal structure, packing, Hirshfeld analysis and …

Design and synthesis of novel imidazole derivatives possessing triazole pharmacophore with potent anticancer activity, and in silico ADMET with GSK-3β molecular …

F Al-Blewi, SA Shaikh, A Naqvi, F Aljohani… - International journal of …, 2021 - mdpi.com
A library of novel imidazole-1, 2, 3-triazole hybrids were designed and synthesized based
on the hybrid pharmacophore approach. Therefore, copper (I) catalyzed click reaction of …

Design, synthesis, and in silico insights into dual-inhibition of CDK-6/Aurora A kinase by 2-phenylbenzimidazole-based small molecules

AM Ali, SS Tawfik, BA Bhongade, MAM Massoud… - Journal of Molecular …, 2024 - Elsevier
A novel series of 2-phenylbenzimidazole scaffold was designed as dual tyrosine kinase
inhibitors based on targeted chemotherapy. All compounds were assessed for their …

Benzimidazole scaffold as a potent anticancer agent with different mechanisms of action (2016–2023)

FF Hagar, SH Abbas, E Atef, D Abdelhamid… - Molecular Diversity, 2024 - Springer
Benzimidazole scaffolds have potent anticancer activity due to their structure similarity to
nucleoside. In addition, benzimidazoles could function as hydrogen donors or acceptors and …

Structural dynamics and anti-biofilm screening of novel imidazole derivative to explore their anti-biofilm inhibition mechanism against Pseudomonas Aeruginosa

S Mehmood, M Hussain, K Bux, Z Hussain… - Journal of …, 2024 - Taylor & Francis
The biofilm formation is still prevalent mechanism of developing the drug resistance in the
Pseudomonas aeruginosa, gram-negative bacteria, known for its major role in nosocomial …

Novel imidazole 2-amino pyrimidine deivatives: Insilico studies, evaluation of their anti-cancer activity against human-CDK2

N Oleti, MS Sunkara, P Kurella, S Manchı… - … University Journal of …, 2023 - dergipark.org.tr
In drug discovery process the identification of lead compounds by virtual screening is a
novel approach. From the literature it is understood that imidazoles and pyrimidines have …