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Medicinal Chemistry

Bakhtyar Sepehri, Raouf Ghavami
BACKGROUND: HSP90 is necessary for the conformational maturation of proteins, proteins disaggregation, folding new synthesized peptides and the refolding of denatured proteins. The inhibition of HSP90 leads to proteasomal degradations of client proteins that finally kill cancer cells. METHODS: In this research, molecular docking and comparative molecular field analysis (CoMFA) were used to investigate the interactions of tetrahydropyrido[4,3-d]pyrimidine derivatives with the N-terminal domain binding site of the HSP90 and predicting their inhibitory activities Results: A CoMFA model with five components and q2 of 0...
March 21, 2018: Medicinal Chemistry
Avneet Kaur, Sharad Wakode, Dharam Pal Pathak, Vidushi Sharma, Ashok K Shakya
BACKGROUND: Non-steroidal anti-inflammatory drugs are widely used for many years, but the chronic use of NSAID's leads to gastric side effects, ulceration and kidney problems. These side effects are due to non-selective inhibition of COX-2 along with COX-1. Therefore, it is imperative to develop novel and selective COX-2 inhibitors Objective: In this paper wehave synthesized a series of novel hybrids comprising of substituted-N-(3,4,5-trimethoxyphenyl)-benzo[d]oxazole derivatives and screened for the treatment of inflammation...
March 21, 2018: Medicinal Chemistry
Shazia Shah, Arshia, Nida Siraj Kazmi, Almas Jabeen, Aisha Faheem, Nida Dastagir, Tariq Ahmed, Khalid Mohammed Khan, Shakil Ahmed, Abeer Raza, Shahnaz Perveen
BACKGROUND: Inflammation is defined as the response of immune system cells to damaged or injured tissues The major symptoms of inflammation include increased blood flow, cellular influx, edema, elevated cellular metabolism, reactive oxygen species (ROS) nitric oxide (NO) and vasodilation. This normally protective mechanism against harmful agents when this normal mechanism becomes dysregulated that can cause serious illnesses including ulcerative colitis, Crohn's disease, rheumatoid arthritis, osteoarthritis, sepsis, and chronic pulmonary inflammation ...
March 21, 2018: Medicinal Chemistry
Stanley Ns Vasconcelos, Juliana M Sciani, Nicole Mambeli Lisboa, Helio A Stefani
BACKGROUND: Structural component of proteins and peptides, amino acids have been used as building blocks in the synthesis of more complex molecules with antitumor activity against several types of cancer. OBJECTIVE: The search for new anticancer compounds is ongoing, especially for cancers that are very aggressive and have poor prognoses, such as leukemia. METHOD: Here, we report a method to synthesize Tyr-Tyr dipeptides via sonochemistry reactions followed by functionalization of these Tyr-Tyr dipeptides with Suzuki-Miyaura and Sonogashira cross-coupling reactions in good yields...
March 9, 2018: Medicinal Chemistry
Suhas Gorakh Karkute, Tanmay Kumar Koley, Bijen Kumar Yengkhom, Ajay Tripathi, Shivani Srivastava, Arti Maurya, Bijendra Singh
BACKGROUND: Black carrot is known to be effective against Type 2 diabetes. The phenolic compounds present in black carrot are responsible for this property, but limited information was available about the mechanism of action and target enzymes. OBJECTIVE: The present study aims at understanding molecular interactions of phenolic compounds of black carrot with enzymes involved in glucose metabolism in human to identify the potential inhibitor that can be used as candidate drug molecule to control diabetes...
February 28, 2018: Medicinal Chemistry
Shivani Mahajan, Shabana Khan, Babu Tekwani, Ikhlas Khan, Inder Pal Singh
Herein we report the anti-leishmanial and anti-trypanosomal activities of a series of thirty three newly synthesized 7-arylbenzo[c]acridine-5,6-diones. Of the tested, seven compounds (14, 17, 19, 26, 27, 38 and 39) were found to exhibit excellent anti-parasitic activities. Compound 14 was identified as the most potent compound against L. donovani promastigotes while compound 27 showed most significant inhibition activity against amastigotes. The synthesized analogs were also tested in human macrophage cell line (THP) infected with L...
February 26, 2018: Medicinal Chemistry
Malgorzata Anna Dawgul, Daria Grzywacz, Beata Liberek, Wojciech Kamysz, Henryk Myszka
BACKGROUND: Candida albicans belongs to the most common fungal pathogens in humans, but recently an increased proliferation of strains called non-albicans Candida has been report-ed. Species belonging to this group are often characterised by a reduced susceptibility to anti-fungal agents. OBJECTIVE: In view of the emergence of non-albicans Candida and their resistance to available antifungals, an attempt has been made to develop novel effective agents. Biological activities of the N,N-dialkyl diosgenyl glycosides, which were previously synthesized, were determined...
February 26, 2018: Medicinal Chemistry
Carmen Fotino, Diego Dal Ben, Elena Adinolfi
BACKGROUND: Purinergic signaling accounts for a complex network of receptors and extracellular enzymes responsible for the generation, recognition and degradation of extracellular ATP and adenosine. The main actors of this system include P2X, P2Y and Adenosine Receptors, ectonucleotidases CD39 and CD73 and Adenosine Deaminase. The purinergic network recently emerged as a central player in several physiopathological conditions particularly those linked to immune system regulation including type 1 and type 2 diabetes...
February 26, 2018: Medicinal Chemistry
Qiang Zhao, Wang Chen, Xu He, Zili Feng, Qi Liang
BACKGROUND: The natural products containing a common 3,4-diarylpyrrole skeleton have attracted considerable attention due to their unique structures and multiplex biological activities. In our previous study, lycogarubin C was synthesized and showed cytotoxicity against MDA-MB-231, A549, PC3 and HeLa cell lines and topoisomerase II inhibitory activities. OBJECTIVE: We present the design, synthesis and antitumor studies of 3,4-diarylprrole derivatives. Their antitumor activities and inhibitory activities against Topo I and Topo IIα of these compounds were assayed...
February 26, 2018: Medicinal Chemistry
Salih Tuncay, Halil Senol, Eray Metin Guler, Nuket Ocal, Hasan Secen, Abdurrahim Kocyigit, Gulacti Topcu
BACKGROUND: Oleanolic acid (OA) is a known natural compound with many important biological activities. Thirteen oleanolic acid derivatives linked at C-3 and C-28 were synthesized and their structures were confirmed by 1H- and 13C NMR and mass spectral analyses. Among them, compounds 4, 6, 8-10, 12, 13 were synthesized for the first time. They were evaluated for their cytotoxic activity. They showed proliferative effect at low concentrations while cytotoxic effect was observed at high concentrations in a dose dependent manner...
February 21, 2018: Medicinal Chemistry
Sheng Tang, Yu-Huan Li, Xin-Yue Cheng, Jin-Qiu Yin, Ying-Hong Li, Dan-Qing Song, Yan-Xiang Wang, Zhan-Dong Liu
BACKGROUND: Influenza is still a serious threat to human health with significant morbidity and mortality, so it is desirable to develop novel anti-flu drug agents with novel structures. OBJECTIVE: The main purpose of this research was to explore broad-spectrum anti-flu agents and provide antiviral stockpiles in response to potential future influenza pandemics. METHODS: Fifteen novel 12N-substituted tricyclic matrinic derivatives were synthesized and evaluated for their anti-influenza activities against H1N1 subtype taking 12N-p-cyanobenzenesulfonyl matrinane (1) as the lead...
February 21, 2018: Medicinal Chemistry
Jamshed Iqbal, Muhammad Shakeel Ahmad Abbasi, Sumera Zaib, Saifullah Afridi, Norbert Furtmann, Jurgen Bajorath, Peter Langer
BACKGROUND: Alzheimer's disease (AD) is the leading cause of dementia among aging population. This devastating disorder is generally associated with the gradual memory loss, specified by decrease of acetylcholine level in the cortex hippocampus of the brain due to hyper-activation of cholinesterases (acetylcholinesterase (AChE) and butyrylcholinesterase (BChE)). OBJECTIVE: Therefore, inactivation of AChE and BChE by inhibitors can increase the acetylcholine level and hence may be an encouraging strategy for the treatment of AD and related neurological problems...
February 21, 2018: Medicinal Chemistry
Ankit Seth, Piyoosh A Sharma, Avanish Tripathi, Priyanka K Choubey, Pavan Srivastava, Prabhash N Tripathi, Sushant Kumar Shrivastava
BACKGROUND: Nipecotic acid is considered to be one of the most potent inhibitors of neuronal and glial γ- aminobutyric acid (GABA) uptake in vitro. However nipecotic acid does not readily cross the blood-brain barrier (BBB) following peripheral administration, owing to its hydrophilic nature. OBJECTIVE: A series of substituted acetonaphthones tethered nipecotic acid derivatives were designed and synthesized with an aim to improve the lipophilicity and the blood-brain barrier (BBB) permeation...
January 15, 2018: Medicinal Chemistry
Nida Ghouri, Khalid Mohammed Khan, Arshia, M Iqbal Choudhary, Shahnaz Perveen
BACKGROUND: Leishmaniasis is a protozoan parasitic vector-borne disease which is endemic in 88 tropical countries. Infected sand fly is the main cause of this disease while, there are several vectors, parasites, and reservoirs involved in the transmission of this disease. Leishmania donovani, L. infantum, and L. chagasi are. common disease causing species, spread through sandflies. It is considered to be a focal disease having scattered foci. Leishmaniasis is a disease with a broad clinical spectrum...
January 14, 2018: Medicinal Chemistry
Ketan Ruparelia, Keti Zeka, Randolph R Arroo, Kenneth J M Beresford
BACKGROUND: Although the expression levels of many P450s differ between tumour and corresponding normal tissue, CYP1B1 is one of the few CYP subfamilies which is significantly and consistently overexpressed in tumours. CYP1B1 has been shown to be active within tumours and is capable of metabolising a structurally diverse range of anticancer drugs. Because of this, and its role in the activation of procarcinogens, CYP1B1 is seen as an important target for anticancer drug development. OBJECTIVES: To synthesise a series of chalcone derivatives based on the chemopreventative agent DMU-135 and investigate their antiproliferative activities in human breast cancer cell lines which express CYP1B1 and CYP1A1...
January 12, 2018: Medicinal Chemistry
Sahar Yousuf, Khalid Mohammed Khan, Uzma Salar, Almas Jabeen, Shakil Ahmed, Munira Taj Muhammad, Aisha Faheem, Shahnaz Perveen
BACKGROUND: Pyrazolones have identified as significant antioxidant agents and many marketed and clinically prescribed NSAIDs have pyrazolone ring as main scaffold. METHOD: Keeping in consideration the antioxidant potential of pyrazolone scaffold, new bis-pyrazolones 3-30 were synthesized by a green and enviroment friendly reaction route, in which two equivalents of 1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-ol were treated with one equivalent of benzaldehyde derivatives without any catalyst...
January 12, 2018: Medicinal Chemistry
Muhammad Saleem, Muhammad Rafiq, Yeon Ki Jeong, Dae Won Cho, Chong-Hyeak Kim, Sung-Yum Seo, Chang-Shik Choi, Seong-Karp Hong, Ki-Hwan Lee
BACKGROUND: In the past few decades, the design, synthesis and characterization of novel heterocyclic compounds with auspicious biological profile received the considerable attention of scientific community. Among them, the small and simple organic molecular backbone like triazole moiety have broad spectrum of applications in the medicinal as well as diagnostic areas. OBJECTIVE: The objective of present study was the synthesis, characterization and exploration of biological profile of 4-(2-fluorophenyl)-3-(3-methoxybenzyl)-1H-1,2,4-triazol-5(4H)-one (5)...
January 12, 2018: Medicinal Chemistry
Ameen Ali Abu-Hashem, Mohamed El-Shazly
BACKGROUND: Isoxazoles, pyridazines, and pyrimidopyrazines have recently attracted attention due to their potent pharmacological activities. They exhibited anticancer, neuroprotective, analgesic and anti-inflammatory effects. OBJECTIVE: Synthesis of novel isoxazoles, pyridazines, and pyrimidopyrazines through efficient high yield protocol and evaluating their analgesics and anti-inflammatory activities. METHOD: A series of novel isoxazole-, pyridazine-, pyrimidopyrazine derivatives were prepared from 5,8-alkyl-1,3-dimethyl-5,6-dihydropyrimido[5,6-e]pyrazine-2,4,7-trione (1a,b) as the starting material...
January 11, 2018: Medicinal Chemistry
Mingming Han, Xu Zhao, Xuedong Wu, Wei Huang, Xingzhou Li, Fang Yu
Backgroud: T-705 (Favipiravir) is a broad spectrum antiviral agent approved for stockpiling in Japan and currently in Phase 3 testing in the United States. Against influenza acts as a prodrug, converted intracellularly to selectively inhibit viral RNA-dependent RNA polymerase or similar enzymes. This is regarded as a novel antiviral mechanism of action, reducing cross-resistance to other existing anti-influenza drugs. OBJECTIVE: To develop new analogs, a class of 1,3-oxathiolane nucleoside derivatives of T-705 were designed and synthesized in this work...
January 11, 2018: Medicinal Chemistry
Ondrej Soukup, Jan Korabecny, David Malinak, Eugenie Nepovimova, Ngoc Lam Pham, Kamil Musilek, Martina Hrabinova, Vendula Hepnarova, Rafael Dolezal, Petr Pavek, Petr Jost, Tereza Kobrlova, Jana Jankockova, Lukas Gorecki, Miroslav Psotka, Thuy Duong Nguyen, Karl Box, Breeze Outhwaite, Martina Ceckova, Ales Sofr, Daniel Jun, Kamil Kuca
BACKGROUND: In the last decade, the concept of uncharged reactivators potentially able to penetrate the CNS has been introduced as an alternative to the classic charged oxime reactivators. However, this concept brings with it several associated drawbacks such as higher lipophilicity, difficulty in administration, lower affinity to cholinesterases, and higher toxicity risk. OBJECTIVE: In this study we compare data obtained for a set of five classic charged reactivators and a set of three recently published uncharged oximes supplemented by two novel ones...
January 11, 2018: Medicinal Chemistry
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