Structure-based virtual screening of new antitumor natural berberines: Bioactivity against pancreas cancer by HIF1 inhibition effect

MN da Rocha, MM Marinho, HS dos Santos… - Journal of Molecular …, 2023 - Elsevier
Despite medical and technological advances to contain the proliferation of pancreatic
cancer, many diagnoses are late due to the high specificity of this type of cancer. Because it …

HIF1 inhibition of the biflavonoids against pancreas cancer: drug-likeness, bioavailability, ADMET, PASS, molecular docking, molecular dynamics, and MM/GBSA …

LS Frota, MN da Rocha, LL Bezerra… - Journal of …, 2023 - Taylor & Francis
Pancreatic cancer is an aggressive disease with a high death rate and is difficult to treat.
This disease, in the most cases, is asymptomatic until it progresses to an advanced stage …

In silico studies on the interaction of four cytotoxic compounds with angiogenesis target protein HIF-1α and human androgen receptor and their ADMET properties

JPKTN Ngbolua, JT Kilembe, A Matondo… - Bulletin of the National …, 2022 - Springer
Background Cancer is a significant public health problem worldwide and constitutes the
second leading cause of death after cardiovascular disease. This study was thus designed …

Synthesis and biological activities of some new benzotriazinone derivatives based on molecular docking; promising HepG2 liver carcinoma inhibitors

SM El Rayes, IAI Ali, W Fathalla, MAA Mahmoud - ACS omega, 2020 - ACS Publications
In one-pot strategy, diazotization of methyl anthranilate 5 followed by addition of amino acid
ester hydrochloride, we have prepared methyl-2-(4-oxobenzotriazin-3 (4 H)-yl) alkanoates …

Computational exploration of anti-cancer potential of guaiane dimers from Xylopia vielana by targeting B-RAF kinase using chemo-informatics, molecular docking, and …

S Shams ul Hassan, SQ Abbas… - Anti-Cancer Agents in …, 2022 - ingentaconnect.com
Background: Natural products from herbs are abundant and display powerful anti-cancer
activities. Objectives: In the current study, B-Raf kinase protein (PDB: 3OG7), a potent target …

Flavonostilbenes natural hybrids from Rhamnoneuron balansae as potential antitumors targeting ALDH1A1: molecular docking, ADMET, MM-GBSA calculations and …

T Elsaman, I Ahmad, EM Eltayib… - Journal of …, 2024 - Taylor & Francis
Several studies have linked Cancer stem cells (CSCs) to cancer resistance development to
chemotherapy and radiotherapy. ALDH1A1 is a key enzyme that regulates the gene …

[PDF][PDF] The Virtual Screening of Flavonoid Derivatives on Progesterone, Estrogen, and HER-2 Receptor for Breast Cancer Treatment Candidate

AD Septian, GA Wardani… - Jurnal Kimia …, 2023 - pdfs.semanticscholar.org
Cancer is defined as a disease caused by progressive and abnormal cell proliferation in the
body. This condition is caused by deoxyribonucleic acid (DNA) changes, which causes cells …

Molecular modelling of berberine derivatives as inhibitors of human smoothened receptor and hedgehog signalling pathway using a newly developed algorithm on …

PJ Kaboli, M Bazrafkan, P Ismail… - Recent patents on anti …, 2017 - ingentaconnect.com
Background: Protoberberine isoquinoline alkaloids are found in many plant species. They
consist of a diverse class of secondary metabolites with many pharmacologically active …

[HTML][HTML] Computer-assisted drug discovery (CADD) of an anti-cancer derivative of the theobromine alkaloid inhibiting VEGFR-2

IH Eissa, RG Yousef, MA Asmaey, H Elkady… - Saudi Pharmaceutical …, 2023 - Elsevier
VEGFR-2 is a significant target in cancer treatment, inhibiting angiogenesis and impeding
tumor growth. Utilizing the essential pharmacophoric structural properties, a new semi …

Inhibition of Human Colorectal Cancer by a Natural Product 7-Acetylhorminone and Interactions with BSA/HSA: Multispectral Analysis and In Silico and In Vitro …

S Pakrashy, S Chakraborty, S Manna… - ACS Applied Bio …, 2024 - ACS Publications
We have semi-synthesized a natural product 7-acetylhorminone from crude extract of
Premna obtusifolia (Indian headache tree), which is active against colorectal cancer after …