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Novel 3-benzylidene/benzylphthalide Mannich base derivatives as potential multifunctional agents for the treatment of Alzheimer’s disease Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-16 Zhongcheng Cao; Qing Song; Guangjun Yu; Zhuoling Liu; Shiqing Cong; Zhenghuai Tan; Yong Deng
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Structural modifications on indole and pyrimidine rings of osimertinib lead to high selectivity towards L858R/T790M double mutant enzyme and potent antitumor activity Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-25 Qiao Liu; Yanli Luo; Zerui Li; Chen Chen; Lei Fang
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Manganese(III) porphyrin oligomers as high-relaxivity MRI contrast agents Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-20 Hui-Shan Lu; Meng-Yi Wang; Fei-Peng Ying; Yuan-Yuan Lv
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Synthesis and biological activity of selenopsammaplin A and its analogues as antitumor agents with DOT1L inhibitory activity Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-11 Hae Ju Han; Woong Sub Byun; Gyu Ho Lee; Won Kyung Kim; Kyungkuk Jang; Sehun Yang; Jewon Yang; Min Woo Ha; Suckchang Hong; Jeeyeon Lee; Jongheon Shin; Ki Bong Oh; Sang Kook Lee; Hyeung-geun Park
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Structure-Activity Relationship and Mechanistic Studies for a Series of Cinnamyl Hydroxamate Histone Deacetylase Inhibitors Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-23 Maurício Temotheo Tavares; Larissa Costa de Almeida; Thales Kronenberger; Glaucio Monteiro Ferreira; Thainá Fujii de Divitiis; Mônica Franco Zannini Junqueira Toledo; Neuza Mariko Aymoto Hassimotto; João Agostinho Machado-Neto; Letícia Veras Costa-Lotufo; Roberto Parise-Filho
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Loop-mediated fluorescent probes for selective discrimination of parallel and antiparallel G-Quadruplexes Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-16 Anup Pandith; Upendra Nagarajachari; Ravi Kumara Guralamatta Siddappa; Sungjin Lee; Chin–Ju Park; Krishnaveni Sannathammegowda; Young Jun Seo
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Molecular modeling study of the testosterone metabolizing enzyme UDP-glucuronosyltransferase 2B17 Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-20 Ingmar Trane; Georg Sager; Erik Sveberg Dietrichs; Aina Westrheim Ravna
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Retro-aza-Michael reaction of an o-aminophenol adduct in protic solvents inspired by natural products Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-13 Kei Takenaka; Kensuke Kaneko; Nobuaki Takahashi; Shinichi Nishimura; Hideaki Kakeya
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Discovery of a potent G-protein-coupled receptor 119 agonist for the treatment of type 2 diabetes Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-13 Suresh Pola; Shailesh R. Shah; Harikishore Pingali; Pandurang Zaware; Baban Thube; Pankaj Makadia; Hoshang Patel; Debdutta Bandyopadhyay; Akshyaya Rath; Suresh Giri; Jitendra H. Patel; R.K. Ranvir; S.R. Sundar; Harilal Patel; Jeevan Kumar; Mukul R. Jain
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Streptochlorin analogues as potential antifungal agents: Design, synthesis, antifungal activity and molecular docking study Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-14 Ya Gao; Dai-Chuan Huang; Chang Liu; Zi-Long Song; Jing-Rui Liu; Shu-Ke Guo; Jun-Yang Tan; Run-Ling Qiu; Bing Jin; Haifeng Zhang; Nick Mulholland; Xinya Han; Qinfei Xia; Abdallah S. Ali; Dale Guo; Yun Deng; Yu-Cheng Gu; Ming-Zhi Zhang
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Speeding drug discovery targeting RNAs: an iterative “RNA selection-compounds screening cycle“ for exploring RNA-small molecule pairs Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-18 Tomoko Furuzono; Asako Murata; Satoshi Okuda; Kenji Mizutani; Tsuyoshi Adachi; Kazuhiko Nakatani
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Structure-based designing and synthesis of 2-phenylchromone derivatives as potent tyrosinase inhibitors: In vitro and in silico studies Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-09 Jamshaid Ashraf; Ehsan Ullah Mughal; Reem I. Alsantali; Rami J. Obaid; Amina Sadiq; Nafeesa Naeem; Anser Ali; Anam Massadaq; Qamar Javed; Asif Javid; Sajjad Hussain Sumrra; Muhammad Naveed Zafar; Saleh A. Ahmed
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Small molecule inhibitor E-64 exhibiting the activity against African swine fever virus pS273R Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-10 Bangzuo Liu; Yuesong Cui; Gen Lu; Shu Wei; Zuofeng Yang; Fangyuan Du; Tongqing An; Jinling Liu; Guoshun Shen; Zeliang Chen
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Design and synthesis of a monocyclic derivative as a selective ACC1 inhibitor by chemical modification of biphenyl ACC1/2 dual inhibitors Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-14 Ryo Mizojiri; Daisuke Tomita; Masako Sasaki; Yoshihiko Satoh; Yukiko Yamamoto; Hiroyuki Sumi; Hironobu Maezaki
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Application of marine natural products in drug research Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-09 Wen-Yu Lu; Hui-Jing Li; Qin-Ying Li; Yan-Chao Wu
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Potential of Substituted Quinazolines to Interact with Multiple Targets in the Treatment of Cancer Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-12 Shruti Choudhary; Arpit Doshi; Lerin Luckett-Chastain; Michael Ihnat; Ernest Hamel; Susan L. Mooberry; Aleem Gangjee
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Discovery of remogliflozin etabonate: A potent and highly selective SGLT2 inhibitor Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-22 Kazuo Shimizu; Hideki Fujikura; Nobuhiko Fushimi; Toshihiro Nishimura; Kazuya Tatani; Kenji Katsuno; Yoshikazu Fujimori; Shinjiro Watanabe; Masahiro Hiratochi; Takeshi Nakabayashi; Noboru Kamada; Koichi Arakawa; Hidemasa Hikawa; Isao Azumaya; Masayuki Isaji
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Discovery of a novel 53BP1 inhibitor through AlphaScreen-based high-throughput screening Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-02 Yanli Sun; Haibo Lu; Xueyu Fang; Senhao Xiao; Feng Yang; Yantao Chen; Hongbo Wang; Xiaopeng Li; Jing Lu; Hua Lin; Cheng Luo; Kehao Zhao; Shijie Chen
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Syntheses and evaluation of acridone-naphthalimide derivatives for regulating oncogene PDGFR-β expression Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-02-02 Meiling Zhang; Zuzhuang Wei; Xue Gong; Xiaoya Li; Shuangshuang Kang; Jing Wang; Bobo Liu; Zhi-Shu Huang; Ding Li
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Chemical validation of a druggable site on Hsp27/HSPB1 using in silico solvent mapping and biophysical methods Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-24 Leah N. Makley; Oleta T. Johnson; Phani Ghanakota; Jennifer N. Rauch; Delaney Osborn; Taia S. Wu; Tomasz Cierpicki; Heather A. Carlson; Jason E. Gestwicki
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Discovery of benzo[f]pyrido[4,3-b][1,4]oxazepin-10-one derivatives as orally available bromodomain and extra-terminal domain (BET) inhibitors with efficacy in an in vivo psoriatic animal model Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-25 Masanori Sato; Takekazu Kondo; Yasushi Kohno; Shigeki Seto
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Synthesis and evaluation of azalamellarin N and its A-ring-modified analogues as non-covalent inhibitors of the EGFR T790M/L858R mutant Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-23 Tsutomu Fukuda; Mizuho Anzai; Akane Nakahara; Kentaro Yamashita; Kazuaki Matsukura; Fumito Ishibashi; Yusuke Oku; Naoyuki Nishiya; Yoshimasa Uehara; Masatomo Iwao
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Discovery of a novel series of indolinylpyrimidine-based GPR119 agonists: Elimination of ether-a-go-go-related gene liability using a hydrogen bond acceptor-focused approach Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-23 Masahiro Kamaura; Osamu Kubo; Hiromichi Sugimoto; Naoyoshi Noguchi; Hirohisa Miyashita; Shinichi Abe; Kae Matsuda; Yoshiyuki Tsujihata; Tomoyuki Odani; Shinji Iwasaki; Toshiki Murata; Kenjiro Sato
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Identification of madangamine A as a novel lysosomotropic agent to inhibit autophagy Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-27 Kazuki Miura; Sayaka Kawano; Takahiro Suto; Takaaki Sato; Noritaka Chida; Siro Simizu
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Quest for a potent antimalarial drug lead: Synthesis and evaluation of 6,7-dimethoxyquinazoline-2,4-diamines Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-16 Yuki Mizukawa; Mayumi Ikegami-Kawai; Masako Horiuchi; Marcel Kaiser; Masayoshi Kojima; Seiki Sakanoue; Seiya Miyagi; Christian Nanga Chick; Hiroyuki Togashi; Masayoshi Tsubuki; Masataka Ihara; Toyonobu Usuki; Isamu Itoh
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A role of flavonoids in cytochrome c-cardiolipin interactions Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-25 Malaysha Rice; Bokey Wong; Mare Oja; Kelley Samuels; Alicia K. Williams; Jenny Fong; Anne-Marie Sapse; Uko Maran; Ekaterina A. Korobkova
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Insights into non-peptide small-molecule inhibitors of the PD-1/PD-L1 interaction: Development and perspective Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-22 Xia Wu; Yangyang Meng; Lei Liu; Guowei Gong; Haotian Zhang; Yunlei Hou; Chunyang Liu; Di Wu; Mingze Qin
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Exploring a combined Escherichia coli-based glycosylation and in vitro transglycosylation approach for expression of glycosylated interferon alpha Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-22 Sunaina Kiran Prabhu; Qiang Yang; Xin Tong; Lai-Xi Wang
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Potential inhibitors interacting in Neuropilin-1 to develop an adjuvant drug against COVID-19, by molecular docking Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-23 José Luis Vique-Sánchez
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The natural-based optimization of kojic acid conjugated to different thio-quinazolinones as potential anti-melanogenesis agents with tyrosinase inhibitory activity Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-27 Nima Sepehri; Aida Iraji; Ali Yavari; Mohammad Sadegh Asgari; Saeed Zamani; Samanesadat Hosseini; Saeed Bahadorikhalili; Somayeh Pirhadi; Bagher Larijani; Mahsima Khoshneviszadeh; Halleh Hamedifar; Mohammad Mahdavi; Mehdi Khoshneviszadeh
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Recent progress and challenges for polymeric microsphere compared to nanosphere drug release systems: Is there a real difference? Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-19 Mehran Alavi; Thomas J. Webster
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Synthesis and Biological Evaluation of A ring Analogs of the Selective CB2 Inverse Agonist SMM-189 Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-25 Sahar S. Alghamdi; Suni M. Mustafa; Bob M. Moore II
Microglia are the principle cell type driving sustained neuroinflammation in neurodegenerative diseases such as Alzheimer’s, Parkinson’s, and Multiple Sclerosis. Interestingly, microglia locked into a chronic M1 pro-inflammatory phenotype significantly up-regulate the cannabinoid receptor 2 (CB2) expression. Our approach to exploiting CB2 as a therapeutic target in neuroinflammatory diseases focuses
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Cytoprotective activities of kinetin purine isosteres Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-06 Barbara Maková; Václav Mik; Barbora Lišková; Gabriel Gonzalez; Dominik Vítek; Martina Medvedíková; Beata Monfort; Veronika Ručilová; Alena Kadlecová; Prashant Khirsariya; Zoila Gándara Barreiro; Libor Havlíček; Marek Zatloukal; Miroslav Soural; Kamil Paruch; Benoit D'Autréaux; Marián Hajdúch; Miroslav Strnad; Jiří Voller
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Complementary leucine zippering system for effective intracellular delivery of proteins by cell-penetrating peptides Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-21 Mizuki Kitamatsu; Hiroki Yuasa; Takashi Ohtsuki; Hiroyuki Michiue
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In-situ side-chain peptide cyclization as a breaker strategy against the amyloid aggregating peptide Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-16 Nibedita Ghosh; Lal Mohan Kundu
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Synthesis and structure-activity relationships of pyrimidine derivatives as potent and orally active FGFR3 inhibitors with both increased systemic exposure and enhanced in vitro potency Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-16 Ikumi Kuriwaki; Minoru Kameda; Kazuhiko Iikubo; Hiroyuki Hisamichi; Yuichiro Kawamoto; Shigetoshi Kikuchi; Hiroyuki Moritomo; Yutaka Kondoh; Tadashi Terasaka; Yasushi Amano; Yukihiro Tateishi; Yuka Echizen; Yoshinori Iwai; Atsushi Noda; Hiroshi Tomiyama; Taisuke Nakazawa; Masaaki Hirano
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Anti-HER2 monoclonal antibody based-radioimmunoconjugates: Assessment of the chelating agent influence Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-10 Ana Cláudia Camargo Miranda; Ana Claudia Ranucci Durante; Leonardo Lima Fuscaldi; Angélica Bueno Barbezan; Cilene Rebouças de Lima; Efrain Perini; Elaine Bortoleti de Araújo
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Staphylococcus aureus resistance to albocycline can be achieved by mutations that alter cellular NAD/PH pools Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-07 Tyler Scherzi; Elizabeth A. D'Ambrosio; Samer S. Daher; Catherine L. Grimes; Paul M. Dunman; Rodrigo B. Andrade
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Chemical generation of small molecule-based bispecific antibody-drug conjugates for broadening the target scope Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-09 Aiko Yamaguchi; Yasuaki Anami; Summer Y.Y. Ha; Travis J. Roeder; Wei Xiong; Jangsoon Lee; Naoto T. Ueno; Ningyan Zhang; Zhiqiang An; Kyoji Tsuchikama
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Design, synthesis and biological evaluation of novel indanone containing spiroisoxazoline derivatives with selective COX-2 inhibition as anticancer agents Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-02 Hoda Abolhasani; Afshin Zarghi; Tahereh Komeili Movahhed; Ahmad Abolhasani; Bahram Daraei; Siavoush Dastmalchi
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A styrylpyrone dimer isolated from Aniba heringeri causes apoptosis in MDA-MB-231 triple-negative breast cancer cells Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-08 Kamylla Fernanda Souza de Souza; Danilo Tófoli; Indiara Correia Pereira; Kelly Juliana Filippin; Ana Tereza Gomes Guerrero; Edgar Julian Paredes-Gamero; Maria de Fatima Cepa Matos; Walmir Silva Garcez; Fernanda Rodrigues Garcez; Renata Trentin Perdomo
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Synthesis, anticancer activity and molecular docking studies of N-deacetylthiocolchicine and 4-iodo-N-deacetylthiocolchicine derivatives Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-11 Greta Klejborowska; Alicja Urbaniak; Ewa Maj; Joanna Wietrzyk; Mahshad Moshari; Jordane Preto; Jack A. Tuszynski; Timothy C. Chambers; Adam Huczyński
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Antimicrobial and cytotoxic effects of ammonium derivatives of diterpenoids steviol and isosteviol Bioorg. Med. Chem. (IF 3.073) Pub Date : 2020-12-28 Alexandra D. Voloshina; Anastasiia S. Sapunova; Natalia V. Kulik; Mayya G. Belenok; Irina Yu Strobykina; Anna P. Lyubina; Syumbelya K. Gumerova; Vladimir E. Kataev
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Synthesis of erythro- B13 enantiomers and stereospecific action of full set of B13-isomers in MCF7 breast carcinoma cells: Cellular metabolism and effects on sphingolipids Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-08 Aiping Bai; Jacek Bielawski; Alicja Bielawska; Yusuf A. Hannun
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Antitumor potential of the protein phosphatase inhibitor, cantharidin, and selected derivatives Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-09 Yulin Ren; A. Douglas Kinghorn
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Rational design and synthesis of 6-aryl-6H-benzo[c]chromenes as non-steroidal progesterone receptor antagonists for use against cancers Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-09 Jing Qin; Sifeng Qu; Kongkai Zhu; Yahong Cheng; Ge Pan; Weiqiang Jing; Xigong Liu; Xia Sun; Lei Liu
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Influence of FcRn binding properties on the gastrointestinal absorption and exposure profile of Fc molecules Bioorg. Med. Chem. (IF 3.073) Pub Date : 2020-12-21 Scott A. Lawrence; Ross Blankenship; Robin Brown; Selina Estwick; Bernice Ellis; Arunkumar Thangaraju; Amita Datta-Mannan
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Design, synthesis, and antiviral activity of a series of CD4-mimetic small-molecule HIV-1 entry inhibitors Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-08 Francesca Curreli; Shahad Ahmed; Sofia M. Benedict Victor; Ildar R. Iusupov; Evgeny A. Spiridonov; Dmitry S. Belov; Andrea Altieri; Alexander V. Kurkin; Asim K. Debnath
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A comprehensive review on the biological interest of quinoline and its derivatives Bioorg. Med. Chem. (IF 3.073) Pub Date : 2020-12-31 Basavarajaiah Suliphuldevara Matada; Raviraj Pattanashettar; Nagesh Gunavanthrao Yernale
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Antileishmanial macrolides from ant-associated Streptomyces sp. ISID311 Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-12 Humberto E. Ortega; Vitor B. Lourenzon; Marc G. Chevrette; Leonardo L.G. Ferreira; René F. Ramos Alvarenga; Weilan G.P. Melo; Tiago Venâncio; Cameron R. Currie; Adriano D. Andricopulo; Tim S. Bugni; Mônica T. Pupo
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The subgroup of 2′-hydroxy-flavonoids: Molecular diversity, mechanism of action, and anticancer properties Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-07 Christian Bailly
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Novel penta-1,4-diene-3-one derivatives containing quinazoline and oxime ether fragments: Design, synthesis and bioactivity Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-06 Shijun Su; Mei Chen; Qin Li; Yihui Wang; Shuai Chen; Nan Sun; Chengwei Xie; Ziyou Huai; Yinjiu Huang; Wei Xue
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Novel arylcarbamate-N-acylhydrazones derivatives as promising BuChE inhibitors: Design, synthesis, molecular modeling and biological evaluation Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-02 Diego A.S. Yamazaki; Andrew M.F. Rozada; Paula Baréa; Elaine C. Reis; Ernani A. Basso; Maria Helena Sarragiotto; Flávio A.V. Seixas; Gisele F. Gauze
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Design, synthesis and evaluation of 1-benzyl-1H-imidazole-5-carboxamide derivatives as potent TGR5 agonists Bioorg. Med. Chem. (IF 3.073) Pub Date : 2020-12-27 Shizhen Zhao; Xinping Li; Le Wang; Wenjing Peng; Wenling Ye; Weiguo Li; Yan-Dong Wang; Wei-Dong Chen
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Discovery of novel 1,3,5-triazine derivatives as potent inhibitor of cervical cancer via dual inhibition of PI3K/mTOR Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-06 Junbo Hu; Yanli Zhang; Na Tang; Yanju Lu; Peng Guo; Ziming Huang
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1,2,4-Thiadiazole acyclic nucleoside phosphonates as inhibitors of cysteine dependent enzymes cathepsin K and GSK-3β Bioorg. Med. Chem. (IF 3.073) Pub Date : 2021-01-06 Alice Pomeislová; Miroslav Otmar; Petra Rubešová; Jakub Benýšek; Marika Matoušová; Helena Mertlíková-Kaiserová; Radek Pohl; Lenka Poštová Slavětínská; Karel Pomeisl; Marcela Krečmerová
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Design, synthesis and anti-inflammatory activity of imidazol-5-yl pyridine derivatives as p38α/MAPK14 inhibitor Bioorg. Med. Chem. (IF 3.073) Pub Date : 2020-12-28 Eslam M.H. Ali; Mohammed S. Abdel-Maksoud; Rasha Mohamed Hassan; Karim I. Mersal; Usama M. Ammar; Choi Se-In; Han He-Soo; Hee-Kwon Kim; Anna Lee; Kyung-Tae Lee; Chang-Hyun Oh
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Anti-inflammatory activity of naturally occuring diarylheptanoids – A review Bioorg. Med. Chem. (IF 3.073) Pub Date : 2020-12-29 Corinne Vanucci-Bacqué; Florence Bedos-Belval
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Nosiheptide analogues as potential antibacterial agents via dehydroalanine region modifications: Semi-synthesis, antimicrobial activity and molecular docking study Bioorg. Med. Chem. (IF 3.073) Pub Date : 2020-12-31 Yafei Fan; Hangfei Chen; Ning Mu; Wengui Wang; Kongkai Zhu; Zhi Ruan; Shoufeng Wang
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Discovery of DB18, a potent inhibitor of CLK kinases with a high selectivity against DYRK1A kinase Bioorg. Med. Chem. (IF 3.073) Pub Date : 2020-12-31 Dabbugoddu Brahmaiah; Anagani Kanaka Durga Bhavani; Pasula Aparna; Nangunoori Sampath Kumar; Hélène Solhi; Rémy Le Guevel; Blandine Baratte; Sandrine Ruchaud; Stéphane Bach; Surender Singh Jadav; Chada Raji Reddy; Thierry Roisnel; Paul Mosset; Nicolas Levoin; René Grée
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