Discovery of novel bioactive compounds in Catharanthus roseus exhibiting anti-angiogenic activity against VEGFR-2 TKD for Glioblastoma tumour growth suppression DOI Creative Commons
Anna Senrung, Durgesh Kumar,

Nidhi Bhardwaj

и другие.

Опубликована: Дек. 11, 2024

The progression of Glioblastoma (GBM) relies heavily on angiogenesis, the formation new blood vessels, facilitated by proangiogenic factors like vascular endothelial growth factor (VEGF) within tumor microenvironment. VEGF interacts primarily with its receptor VEGFR-2 (VEGF receptor-2), making it a key target for anti-angiogenic therapy. Existing agents, while effective, often pose cardiovascular risks, necessitating exploration safer alternatives. Plant-based compounds, including those from Catharanthus roseus, show promise in this regard. Despite known activity C. roseus extracts, comprehensive investigation into phytoconstituents and their potential is lacking. This study aims to fill gap employing silico methods screen safe novel compounds targeting tyrosine kinase domain (VEGFR-2 TKD). Utilizing molecular docking ADMET (absorption, distribution, metabolism, excretion, toxicity) tools, (16R)-Dihydrositsirikine emerges as promising candidate, exhibiting drug-like properties, non-toxicity, binding affinity -7.2 kcal/mol ATP site TKD, greater than that (-6.6 Kcal/mol). Molecular Dynamics (MD) simulation further confirms stability (16R)-Dihydrositsirikine-VEGFR-2 TKD complex, supported good hydrogen-bonding (H-bonding). Free energy calculations via MM-GBSA corroborate favourable free energy. In conclusion, highlights effective agent GBM therapy, paving way future preclinical clinical investigations.

Язык: Английский

The Past and Future of Angiogenesis as a Target for Cancer Therapy and Prevention DOI
Adriana Albini, Douglas M. Noonan, Paola Corradino

и другие.

Cancer Prevention Research, Год журнала: 2024, Номер 17(7), С. 289 - 303

Опубликована: Май 7, 2024

Abstract Cancer growth is dependent on angiogenesis, the formation of new blood vessels, which represents a hallmark cancer. After this concept was established in 1970s, inhibition tumor development and metastases by blocking neoangiogenic process has been an important approach to treatment tumors. However, antiangiogenic therapies are often administered when cancer already progressed. The key reducing burden prevention. We noticed 20 years ago that series possible chemopreventive agents showed properties tested experimental models. This article reviews relevant advances understanding rationale for targeting angiogenesis therapy, prevention, interception recently investigated substances with activity may be suitable such strategies. Many compounds, either dietary derivatives or repurposed drugs, tools angioprevention. Such molecules have favorable safety profile likely allow prolonged duration necessary efficient preventive strategy. Recent evidence mechanisms use described here food derivatives, including flavonoids, retinoids, triterpenoids, omega fatty acids, carotenoids from marine microorganisms. As examples, number epigallocatechin, resveratrol, xanthohumol, hydroxytyrosol, curcumin, fenretinide, lycopene, fucoxanthin, as aspirin, β blockers, renin–angiotensin–aldosterone inhibitors, carnitines, biguanides, reviewed.

Язык: Английский

Процитировано

6

The Therapeutic Potential of Spirooxindoles in Cancer: A Focus on p53–MDM2 Modulation DOI Creative Commons
Adel S. Girgis, Yujun Zhao,

Angel Nkosi

и другие.

Pharmaceuticals, Год журнала: 2025, Номер 18(2), С. 274 - 274

Опубликована: Фев. 19, 2025

The p53, often referred to as the "guardian of genome", is a well-established tumor-suppressor protein that plays critical role in regulating cell cycle, DNA repair, differentiation, and apoptosis, with its activity primarily modulated by MDM2 (murine double minute 2, also known HDM2 humans). Disrupting protein-protein interaction between p53 represents promising therapeutic strategy for developing anticancer agents. Recent studies have shown several spirooxindole-containing compounds exhibit significant antitumor properties, inhibiting p53-MDM2 interaction. This review provides an overview structure-based spirooxindoles could potential. It highlights findings from past decade concerning their antiproliferative properties implications interfering discussion includes various analogs candidates optimizing leads drug discovery programs aimed at novel clinically effective

Язык: Английский

Процитировано

0

Indole Compounds in Oncology: Therapeutic Potential and Mechanistic Insights DOI Creative Commons
S. M. E. HASSAN, Alyaa Farid, Siva S. Panda

и другие.

Pharmaceuticals, Год журнала: 2024, Номер 17(7), С. 922 - 922

Опубликована: Июль 10, 2024

Cancer remains a formidable global health challenge, with current treatment modalities such as chemotherapy, radiotherapy, surgery, and targeted therapy often hindered by low efficacy adverse side effects. The indole scaffold, prominent heterocyclic structure, has emerged promising candidate in the fight against cancer. This review consolidates recent advancements developing natural synthetic indolyl analogs, highlighting their antiproliferative activities various cancer types over past five years. These analogs are categorized based on common types, supported biochemical assays demonstrating properties. In this review, emphasis is placed elucidating mechanisms of action these compounds. Given limitations conventional therapies, therapeutics enhanced selectivity reduced effects critical focus oncological research.

Язык: Английский

Процитировано

3

Synthesis and anti-tumor activity of new benzofuran-based chalcone derivatives as potent VEGFR-2 inhibitors DOI

Chunfei Zhang,

Yixin Liu, Xiao Zhang

и другие.

RSC Medicinal Chemistry, Год журнала: 2024, Номер unknown

Опубликована: Янв. 1, 2024

Cancer is one of the most significant public health problems worldwide, and discovery development efficient VEGFR-2 inhibitors has been a research hotspot in cancer treatment. In present work, series novel benzofuran-based chalcone derivatives have prepared,

Язык: Английский

Процитировано

1

Development of 3-indolyl substituted phenyl pyrazolo-carboxamide hybrids as potential type II VEGFR-2 inhibitors and in vitro cytotoxicity studies DOI

Durgesh Gurukkala Valapil,

Geetanjali Devabattula, Aman Singh Barahdia

и другие.

Bioorganic & Medicinal Chemistry Letters, Год журнала: 2024, Номер 117, С. 130070 - 130070

Опубликована: Дек. 12, 2024

Язык: Английский

Процитировано

1

Development of 3-Indolyl Substituted Phenyl Pyrazolo-Carboxamide Hybrids as Potential Type Ii Vegfr-2 Inhibitors and in Vitro Cytotoxicity Studies DOI

Durgesh Gurukkala Valapil,

Geetanjali Devabattula, Aman Singh Barahdia

и другие.

Опубликована: Янв. 1, 2024

Язык: Английский

Процитировано

0

Design, synthesis, anti‐cancer, anti‐inflammatory and in silico studies of 3‐substituted‐2‐oxindole derivatives DOI
Mahesh G. Hublikar, Vikas D. Kadu,

Nagesh Edake

и другие.

Chemistry & Biodiversity, Год журнала: 2024, Номер 21(11)

Опубликована: Июль 30, 2024

Abstract This study focuses on the design and synthesis of 3‐substituted‐2‐oxindole derivatives aimed at developing dual‐active molecules with anti‐cancer anti‐inflammatory properties. The were designed diverse structural functional features while adhering to Lipinski, Veber, Leeson criteria. Physicochemical properties assessed using SWISSADME ensure drug‐likeness favourable pharmacokinetics. Multistep synthetic procedures employed for molecule synthesis. In vitro evaluations confirmed dual activity derivatives, specific emphasis significance dialkyl aminomethyl substitutions potency against various cell lines. 4 a exhibited GI 50 value 3.00E −05 MDA‐MB‐231, b has shown 2E c 6E VERO, d 8E each both MDA‐MB‐231 MCF‐7 e values 5E VERO. analysis indicates that compounds 3 (71.19 %), (66.84 g (63.04 %) significant activity. Additionally, in silico binding free energy interaction studies revealed correlations between computational data, identifying , i as promising candidates. Key residues such Glu917, Cys919, Lys920, Glu850, Lys838, Asp1046 found play critical roles ligand kinase inhibition, providing valuable insights designing potent VEGFR2 inhibitors. Quantum Mechanics‐based Independent Gradient Model further highlighted electronic landscape, showing larger attractive peaks higher electron density gradients compared Sunitinib, suggesting stronger more forces. These findings support potential these development optimization anticancer drug design.

Язык: Английский

Процитировано

0

Discovery of novel bioactive compounds in Catharanthus roseus exhibiting anti-angiogenic activity against VEGFR-2 TKD for Glioblastoma tumour growth suppression DOI Creative Commons
Anna Senrung, Durgesh Kumar,

Nidhi Bhardwaj

и другие.

Опубликована: Дек. 11, 2024

The progression of Glioblastoma (GBM) relies heavily on angiogenesis, the formation new blood vessels, facilitated by proangiogenic factors like vascular endothelial growth factor (VEGF) within tumor microenvironment. VEGF interacts primarily with its receptor VEGFR-2 (VEGF receptor-2), making it a key target for anti-angiogenic therapy. Existing agents, while effective, often pose cardiovascular risks, necessitating exploration safer alternatives. Plant-based compounds, including those from Catharanthus roseus, show promise in this regard. Despite known activity C. roseus extracts, comprehensive investigation into phytoconstituents and their potential is lacking. This study aims to fill gap employing silico methods screen safe novel compounds targeting tyrosine kinase domain (VEGFR-2 TKD). Utilizing molecular docking ADMET (absorption, distribution, metabolism, excretion, toxicity) tools, (16R)-Dihydrositsirikine emerges as promising candidate, exhibiting drug-like properties, non-toxicity, binding affinity -7.2 kcal/mol ATP site TKD, greater than that (-6.6 Kcal/mol). Molecular Dynamics (MD) simulation further confirms stability (16R)-Dihydrositsirikine-VEGFR-2 TKD complex, supported good hydrogen-bonding (H-bonding). Free energy calculations via MM-GBSA corroborate favourable free energy. In conclusion, highlights effective agent GBM therapy, paving way future preclinical clinical investigations.

Язык: Английский

Процитировано

0