Network pharmacology and molecular docking study-based approach to explore mechanism of benzimidazole-based anthelmintics for the treatment of lung cancer

A Garg, S Karhana, A Bano, IA Khan… - Journal of …, 2023 - Taylor & Francis
Emerging studies have reported the potential anticancer activity of benzimidazole-based
anthelmintics (BBA) against lung cancer (LC). However, mechanism underlying the …

In Silico Study, Protein Kinase Inhibition and Molecular Docking Study of Benzimidazole Derivatives

K Karthick, K Abishek… - … and Biology Insights, 2024 - journals.sagepub.com
Kinase enzymes play an important role in cellular proliferation, and inhibition of their activity
is a major goal of cancer therapy. Protein kinase inhibitors as benzimidazole derivatives can …

Chemoprofiling and insilico prioritization of bioactive compounds from Laetiporus versisporus (Lloyd) Imazeki reveals potential Bcl-2 inhibitor.

U Vetrivel, URN Ayyakannu - Journal of Biomolecular Structure & …, 2022 - europepmc.org
Laetiporus versisporus (Lloyd) Imazeki is an edible mushroom that grows abundantly in
kodaikanal hills (India) during rainy season. Till now, there is a dearth of reports on …

[HTML][HTML] Revisiting activity of some nocodazole analogues as a potential anticancer drugs using molecular docking and DFT calculations

M Khattab, AA Al‐Karmalawy - Frontiers in Chemistry, 2021 - frontiersin.org
Although potential anticancer activities of benzimidazole-based anthelmintic drugs have
been approved by preclinical and clinical studies, modes of binding interactions have not …

Biochemical and molecular docking-based strategies of Acalypha indica and Boerhavia diffusa extract by targeting bacterial strains and cancer proteins

MSS Shimu, GK Paul, AK Dutta, C Kim… - Journal of …, 2023 - Taylor & Francis
Antibiotic-resistant microbes have emerged around the world, presenting a risk to health.
Plant-derived drugs have become a potential source for the production of antibiotic-resistant …

A review of synthetic strategy, SAR, docking, simulation studies, and mechanism of action of isoxazole derivatives as anticancer agents

GC Arya, M Khalid, S Mehla… - Journal of Biomolecular …, 2024 - Taylor & Francis
Breast cancer (BC) is a global health concern and the leading cause of cancerous death
among women across the world, BC has been characterized by fresh lump in the breast or …

Network pharmacology and molecular docking-based identification of drug candidates and key targets of Allium sativum for colorectal cancer treatment

OF Olukunle, V Omoboyede… - Journal of Biomolecular …, 2024 - Taylor & Francis
Colorectal cancer (CRC) is a type of cancer with high morbidity and mortality in several
developing and developed countries of the world. Its mortality and morbidity are predicted to …

[HTML][HTML] In Silico Mining of Natural Products Atlas (NPAtlas) Database for Identifying Effective Bcl-2 Inhibitors: Molecular Docking, Molecular Dynamics, and …

NM Almansour, KS Allemailem, AA Abd El Aty… - Molecules, 2023 - mdpi.com
The Bcl-2 protein has a vital function in controlling the programmed cell doom of
mitochondria. If programmed cell death signals are obstructed, an imbalance between cell …

Targeting bladder cancer with Trigonella foenum-graecum: a computational study using network pharmacology and molecular docking

S Bitam, M Hamadache, S Hanini - Journal of Biomolecular …, 2024 - Taylor & Francis
Trigonella foenum-graecum (TF-graecum), known as Hulba or Fenugreek, is one of the
oldest known medicinal plants. It has been found to have antimicrobial, antifungal …

Analyzing Indole-fused benzooxazepines as inhibitors of apoptosis pathway-related proteins using multifaceted computational medicinal chemistry

I Azad, P Anand, AK Dwivedi, S Saha… - Journal of Molecular …, 2023 - Elsevier
In this study, quantum chemical (QC) investigations, virtual screening, molecular docking,
and molecular dynamics analysis of indole-fused benzooxazepines derivatives (IFBOs) are …