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Anti-cancer Agents in Medicinal Chemistry

Afsar Khan, Rabia Hameed
One of the major goals of computational chemists is to determine and develop the pathways for anticancer drug discovery and development. In recent past, high performance computing systems threw the light to elicit our desired results, with little or no side effects. Different approaches to facilitate anticancer drug discovery include determination of actual targets, multi-targeted drug discovery, ligand-protein inverse docking, virtual screening of drug like compounds, formation of di-nuclear analogs of drugs, drug specific nano-carrier design, kinetic and trapping studies in drug design, multi-target QSAR model, targeted co-delivery of anticancer drug and siRNA, formation of stable inclusion complex, determination of mechanism of drug resistance, and designing drug like libraries for the prediction of drug-like compounds...
October 9, 2018: Anti-cancer Agents in Medicinal Chemistry
Imran Ali, Mohammad Nadeem Lone
BACKGROUND: Cancer is a black spot on the face of humanity in this era of science and technology. Thus, the search for new promising anticancer agents continues. AIMS: Here we designed and synthesized new N-substituted rhodanines (RD1-7), evaluated their multi-spectroscopic interaction with calf thymus DNA, in silico and anticancer studies against human breast cancer cell (MDA-MB-231). METHODS: Among the compounds, RD5 was found the most potent by MTT assay with IC50 value of 17...
October 2, 2018: Anti-cancer Agents in Medicinal Chemistry
Siddhartha Kumar Miahra, Pir Mohammad Ishfaq, Swati Tripathi, Archana Shukla, Satyaprakash Beraiya
Background - At present, 'pharmaco-epigenomics' constitutes the hope in cancer treatment owing to epigenetic deregulation- a reversible process and playing a role in malignancy. OBJECTIVE: Chemotherapy has many limitations like host-tissue toxicity, drug resistance. Hence, it is imperative to unearth targets to better treat cancer. Here, we intend to repurpose a set of our previously synthesized difluorinated propanediones (PR) as histone lysine methyltransferase inhibitors (HMTi). METHODS: The cell lines of leukemic origin viz...
October 2, 2018: Anti-cancer Agents in Medicinal Chemistry
Baishakhi De, Koushik Bhandari, Francisco J B Mendonça, Marcus Tullius Scotti, Luciana Scotti
The application of in silico tools in the development of anti cancer drugs. </p> <p> Objective: The summing of different computer aided drug design approaches that have been applied in the development of anti cancer drugs. </p> <p> Method: Structure based, ligand based, hybrid protein-ligand pharmacophore methods, Homology modeling, molecular docking aids in different steps of drug discovery pipeline with considerable saving in time and expenditure. In silico tools also finds applications in the domain of cancer drug development...
September 11, 2018: Anti-cancer Agents in Medicinal Chemistry
Sepideh Mansouri, Nikta Feizi, Ali Mahdi, Keivan Majidzadeh-A, Leila Farahmand
Molecular deviations can contribute to the development of breast cancer. For instance, estrogen and estrogen receptors play a significant role in inducing tumor proliferation. However, the efficacy of endocrine therapy through administration of anti-estrogen drugs, such as Tamoxifen, is challenged by acquired resistance. Tamoxifen resistance occurs as a consequence of signaling pathways over-activated within this intricate network. Since angiogenesis is vital to tumor growth due to the essential nutrients it provides, it has been shown that microvessel count was greater in Tamoxifen resistant tissues than in responsive ones...
September 11, 2018: Anti-cancer Agents in Medicinal Chemistry
Nimmy Kumar, Akhila Hosur Shrungeswara, Sanchari Basu Mallik, Subhankar Biswas, A Jesil Mathew, K Nandakumar, Jessy Mathew, Richard Lobo
BACKGROUND: Hepatocellular carcinoma (HCC) is the fifth leading cause of cáncer mortality. Elytranthe parasitica (L.) Danser (EP), a hemiparasitic plant (Loranthaceae) has potent anti-cancer properties. OBJECTIVE: In the study, we investigated the effect of EP fractions on expression of apoptosis and mitogen-activated protein kinase (MAPK) markers deregulated in HCC. Bioactivity fractionation was performed to isolate the phytochemical(s) exerting anti-tumor activity in HepG2 cells...
September 10, 2018: Anti-cancer Agents in Medicinal Chemistry
Da-Yong Lu, Ting-Ren Lu, Bin Xu, Min Huang, Hong Zhu, Ying Shen, Nagendra Sastry Yarla
BACKGROUNDS: Neoplasm metastasis is a multi-step and multi-level pathological feature causing 90% of cancer mortality due to a shortage of effective drugs and clinical therapeutics. To change this scenario, new drug targets and developments are required. METHOD: Aberrant tumor sialylation as a putative drug target candidate has been evolving over the past half century. Some specific agents and clinical events suggested some promising therapeutic potentiality and benefits against neoplasm metastasis in a number of cellular and animal tumor models...
September 10, 2018: Anti-cancer Agents in Medicinal Chemistry
Weimin Wang, Yan Zhou, Qiang Yao, Weihua Liu, Liangliang Xiang, Tengyang Ni, Xiaojun Dai, Yanqing Liu
BACKGROUND: Cisplatin-based treatment often leads to therapeutic failure because the acquisition of cisplatin resistance. The combination of cisplatin with other agents has been recognized as a promising strategy to overcome cisplatin resistance. OBJECTIVE: Celastrus orbiculatus is a traditional Chinese medicine from Celastraceae family with multiple pharmacological activities. We previously found the the ethyl acetate extract of Celastrus orbiculatus (COE) exhibited significant antitumor activity in gastric cancer...
September 10, 2018: Anti-cancer Agents in Medicinal Chemistry
Ilknur Ozgencli, Deryanur Kilic, Ugur Guller, Mehmet Ciftci, Omer Irfan Kufrevioglu, Harun Budak
BACKGROUND: While thioredoxin reductase (TrxR) plays an important role in regulation of the intracellular redox balance and various signalling pathways, glutathione S-transferase (GSTs) enzymes belong to the detoxification family that catalyse the conjugation of glutathione with various endogenous and xenobiotic electrophiles. Since TrxR and GSTs are overexpressed in many cancer cells, they have been identified as potential targets to develop chemotherapeutic strategies. METHOD: The mitochondrial TrxR (TrxR2) enzyme and the cytosolic GST enzyme was purified from rat liver via affinity chromatography...
September 9, 2018: Anti-cancer Agents in Medicinal Chemistry
Izabela Lasinska, Tomasz Kolenda, Anna Teresiak, Katarzyna M Lamperska, Lukasz Galus, Jacek Mackiewicz
Head and neck squamous cell carcinoma (HNSCC) is the most common malignant cancer occurring in the head and neck area, approximately 90% of the cases. Even in the cases of primary radical treatment (surgical, concomitant chemoradiotherapy or radiotherapy alone), local recurrence or distal metastases are often observed. In patients with recurrent disease who are unable to receive radical treatment, the results of palliative chemotherapy are not satisfactory. The breakthrough in the therapy of advanced HNSCC was the approval of cetuximab in combination with chemotherapy in 2008...
September 9, 2018: Anti-cancer Agents in Medicinal Chemistry
Ebtesam H O Nafie, Eman Khater, Mohamed Awwad, Mohamed Zowail, Kholud Hegazy
Bone marrow [BM] have self-renovationcapacity and have been used recently in tumor medicine.Chlorambucil[CHB] is ordinarily utilized chemotherapy to treat varietiesof malignancy patients. This investigation intended to gauge the effectiveness of BM as an invivoantimutagenicagainst CHB.The experimental design relies upon four classes, each class contains ten adult male albino rats as follows: control, rats infused orally with CHB for fourteen days, rats intravenously infused with BM through a tail vein one time, rats infused the mix of CHB and BM...
September 7, 2018: Anti-cancer Agents in Medicinal Chemistry
Christina Liakopoulou, Christos Kazazis, Natalia G Vallianou
Silimarin is the dry mixture of a whole family of natural substances, extracted after the addition of ethanol, methanol, and acetone. Silimarin consists mainly of silibin A and silibin B, as well as other less important compounds. Silimarin has been demonstrated to "inhibit cell proliferation and to induce apoptosis, while also having anti-angiogenic properties." The induction of apoptosis in cancer cells has been mediated by the involvement of ER stress. Silibinin has the potential to operate as a STAT3-targeted inhibitor as well as an inhibitor of the upregulation of the immune checkpoint regulator PD-L1 and also EMT regulators, thus being a promising adjuvant in NSCLC...
September 5, 2018: Anti-cancer Agents in Medicinal Chemistry
Jaleh Varshosaz, Saeedeh Enteshari, Farshid Hassanzadeh, Batool Hashemi-Beni, Mohsen Minaiyan, Sedighe Sadeghian-Rizi
BACKGROUND: To reduce the nonspecifically distribution of chemotherapeutic agents throughout the whole body, which causes severe toxicity in normal tissues, targeting them towards a receptor overexpressed on tumor tissue, is a promising method for cancer therapy. OBJECTIVE: The aim of the present study was development of novel copolymeric micelles of raloxifene targeted styrene maleic acid-poly amide ether ester imide-poly ethylene glycol (SMA-PAEEI-PEG-RA) and loading them with docetaxel (DTX)...
September 5, 2018: Anti-cancer Agents in Medicinal Chemistry
K P Rakesh, N Darshini, H M Manukumar, H K Vivek, D S Prasanna, N Mallesha
Amino acids conjugated with heterocyclic molecules are well known for their effective bioactive properties. In search of effective anticancer agents, a series of xanthone linked amino acids 2-23 were synthesized and tested for in vitro anticancer and DNA binding studies against three different cancer cell lines MCF-7, MDA-MB-435 and A549 and validated by DNA binding and molecular docking approaches. Compounds 7, 8 and 9 exhibited potent anticancer activity against tested cancer cell lines and DNA binding study using methyl green comparing to Doxorubicin and ethidium bromide as a positive control respectively...
September 2, 2018: Anti-cancer Agents in Medicinal Chemistry
Xiaoyan Zhao, Sen Yang, Duoduo Zhang, Zhubo Li, Chengzhi Huang
Arsenic trioxide (As2O3), which has been shown to be effective in treating leukemia and other solid tumors, was strictly restricted in clinical application due to its severe toxicity. The present study was performed to explore whether the combination of As2O3 and artemisinin could produce a more powerful anticancer effect and reduce the toxicity of As2O3. MTT assay was performed to detect the cell viability of A549, Hela and HepG2 cells treated with As2O3 and artemisinin. Combination index (CI) analysis was carried out to evaluate the synergistic effect of As2O3 and artemisinin...
September 2, 2018: Anti-cancer Agents in Medicinal Chemistry
Nil Kilic, Sumer Aras, Demet Cansaran-Duman
OBJECTIVE: Breast cancer occurs in women and it is characterized by a high ratio of malignancy and metastasis and low rate of survival of patients. Despite improvements in treatments strategy is still poor, the discovery of an alternative therapeutic agent and clarifying the molecular mechanism of breast cancer development may offer new hope for its treatment. METHODS: In this study, different concentrations of vulpinic acid (VA) lichen secondary metabolite were assessed for cytotoxic and apoptosis effect in breast cancer cells and non-cancerous cell line...
September 2, 2018: Anti-cancer Agents in Medicinal Chemistry
Ashutosh K Dash, Debasis Nayak, Nazar Hussain, Mubashir Javed Mintoo, Sumera Bano, Archana Katoch, Dilip Manikaro Mondhe, Anindya Goswami, Debaraj Mukherjee
BACKGROUND: Cancer is the second leading cause of mortality worldwide after heart diseases and lung cancer is the top most cause of all cancer-related deaths in both sexes. Dihydropyrimidinones (DHPMs) are medicinally important class of molecules with diverse pharmacological activities including anticancer activity. The present study focuses on the molecular hybridization of novel Benzopyran with Dihydropyrimidinone and evaluation of the resulting hybrids for cancer cell proliferation, migration and tumor growth...
September 2, 2018: Anti-cancer Agents in Medicinal Chemistry
Faeze Khalili, Sara Akrami, Malihe Safavi, Maryam Mohammadi-Khanaposhtanid, Mina Saeedi, Sussan Kabudanian Ardestani, Bagher Larijani, Afsaneh Zonouzi, Maliheh Barazandeh Tehrani, Mohammad Mahdavi
BACKGROUND: This paper reports synthesis, cytotoxic activity, and apoptosis inducing effect of a novel series of styrylimidazo[1,2-a]pyridine derivatives. OBJECTIVE: In this study, anti-cancer activity of novel styrylimidazo[1,2-a]pyridines was evaluated. METHODS: Styrylimidazo[1,2-a]pyridine derivatives 4a-o were synthesized through a one-pot three-component reaction of 2-aminopyridines, cinnamaldehydes, and isocyanides in high yield. All synthesized compounds 4a-o were evaluated against breast cancer cell lines including MDA-MB-231, MCF-7, and T-47D using MTT assay...
September 2, 2018: Anti-cancer Agents in Medicinal Chemistry
V L Maruthanila, R Elancheran, A B Kunnumakkara, S Kabilan, Jibon Kotoky
Emerging evidence present credible support in favour of the potential role of mahanine and girinimbine, non-toxic herbal carbazole alkaloids occur in the edible part of Murraya koenigii, Micromelum minutum, M. zeylanicum, and M. euchrestiolia. Mahanine and girinimbine are the major potent compounds from these species. In fact, they interfered with tumour expansion and metastasis development through down-regulation of apoptotic and antiapoptotic protein, also involved in the stimulation of cell cycle arrest...
August 30, 2018: Anti-cancer Agents in Medicinal Chemistry
Wenming Wang, Fengmei Zhao, Yarui Zhao, Weiwei Pan, Pengcheng Cao, Lintao Wu, Zhijun Wang, Xuan Zhao, Yi Zhao, Hongfei Wang
BACKGROUND: Autotaxin-LPA signaling has been implicated in cancer progression, and targeted for the discovery of cancer therapeutic agents. OBJECTIVE: Potential ATX inhibitors were synthesized to develop novel leading compounds and effective anticancer agents. METHOD: The present work designs and synthesizes a series of 2,7-subsitituted carbazole derivatives with different terminal groups R [R = -Cl (Ⅰ), -COOH (Ⅱ), -B(OH)2 (Ⅲ), or -PO(OH)2 (Ⅳ)]...
August 30, 2018: Anti-cancer Agents in Medicinal Chemistry
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