Recent advances in the area of plant-based anti-cancer drug discovery using computational approaches

AP Das, SM Agarwal - Molecular Diversity, 2024 - Springer
Phytocompounds are a well-established source of drug discovery due to their unique
chemical and functional diversities. In the area of cancer therapeutics, several …

CD147: an integral and potential molecule to abrogate hallmarks of cancer

AMK Nyalali, AU Leonard, Y Xu, H Li, J Zhou… - Frontiers in …, 2023 - frontiersin.org
CD147 also known as EMMPRIN, basigin, and HAb18G, is a single-chain type I
transmembrane protein shown to be overexpressed in aggressive human cancers of CNS …

In silico and in vitro studies of thiosemicarbazone-indole hybrid compounds as potent α-glycosidase inhibitors

Z Bakherad, H Bakherad, S Sepehri… - … Biology and Chemistry, 2022 - Elsevier
It is essential to study α-glucosidase enzyme (EC 3.2. 1.20) inhibitors because of their
physiological role as well as their clinical relevance. In previous research, a novel series of …

Studies on the effect and mechanism of CD147 on melanoma stem cells

Y Jiang, R Liang, L Li, J Guan - Allergologia et Immunopathologia, 2024 - all-imm.com
Background: Melanoma is the most aggressive form of skin cancer. Melanoma stem cells
(MSCs) are one of the driving forces of melanoma invasion and metastasis. Therefore, it is of …

A new route to the synthesis of 2-hydrazolyl-4-thiazolidinone hybrids, evaluation of α-glucosidase inhibitory activity and molecular modeling insights

S Sepehri, G Farhadi, M Maghbul, F Nasiri… - Heliyon, 2024 - cell.com
One of the multifactorial worldwide health syndromes is diabetes mellitus which is
increasing at a disturbing rate. The inhibition of α-glucosidase, an enzyme that catalyzes …

Investigating the potential mechanisms of Litsea cubeba essential oil for anti-melanoma through experimental validation, network pharmacology, and molecular …

XQ Yang, MZ Liu, KJ Han, P Zhao, L Li, SS Liu, B Yang… - Oncologie, 2024 - degruyter.com
Objectives Melanoma remains a challenge due to the lack of effective and low-toxicity
treatments. Litsea cubeba essential oil (LEO), known for its tyrosinase inhibitory activity, has …

Identification of Active Compounds against Melanoma Growth by Virtual Screening for Non-Classical Human DHFR Inhibitors

AF Vásquez, LA Gómez, A González Barrios… - International Journal of …, 2022 - mdpi.com
Antifolates such as methotrexate (MTX) have been largely known as anticancer agents
because of their role in blocking nucleic acid synthesis and cell proliferation. Their …

Cheminformatics Screening of Phytochemicals Targeting Diverse Potential Receptors to Elicit Antiviral Properties

R Kumar, G Gupta, A Mohan, M Gupta - Coronaviruses, 2024 - benthamdirect.com
Objective: Recently, the COVID-19 (coronavirus disease) pandemic caused by SARSCoV-2
(severe acute respiratory syndrome coronavirus) gave rise to a public health emergency …

Structure based virtual screening of natural products to disrupt the structural integrity of TRAF6 C-terminal domain homotrimer

R Biswas, N Chowdhury, S Biswas, R Roy… - Journal of Molecular …, 2019 - Elsevier
Tumor necrosis factor receptor-associated factor 6 (TRAF6) is an E3 ligase which takes part
in different cellular pathways. TRAF6 is seen to be highly expressed in various cancers and …

Drugging Protein-Protein Interaction Interface with Natural Products: A Computational Approach

R Biswas, A Bagchi - Bioactive Natural products in Drug Discovery, 2020 - Springer
Protein-protein interaction (PPI) process plays an essential role in regulating biological
processes inside the cell. Malfunctioning in protein-protein interaction network is …