E-Pub Articles Ahead of Print ::: Letters in Drug Design & Discovery

ISSN: 1875-628X (Online)
ISSN: 1570-1808 (Print)


Volume 14, 12 Issues, 2017


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Letters in Drug Design & Discovery

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Editor-in-Chief:
G. Perry
University of Texas
San Antonio, TX
USA


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Articles Ahead of Print

Development of Novel Selective Pharmacophore for Tankyrase Inhibitors


Xin Qiao, Ting Ran, Yan-Min Zhang, Jing Pan, Ling-Feng Yin, Wei-Neng Zhou, Lu Zhu, Jun-Nan Zhao, Hai-Chun Liu, Shuai Lu, Tao Lu, Ya-Dong Chen and Yu-Lei Jiang.


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Antimicrobial and Cytotoxicity Activities of 2-(aryl)-3-(benzo[d][1,3] dioxol-5-yl)thiazolidin-4-ones


Silvana P. Souza, Hellen G Masteloto, Daniel S. Silva, Juliana H. Azambuja, Elizandra Braganhol, Juliana S Ribeiro, Rafael G Lund and Wilson Cunico.


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Synthesis, Structural Studies and Biological Evaluation of Halogen Derivatives of 1,3 Disubstituted Thiourea


Anna Bielenica, Karolina Stępień, Aleksandra Sawczenko, Tadeusz Lis, Anna E. Kozioł, Silvia Madeddu, David Collu, Filippo Iuliano, Anita Kośmider and Marta Struga.


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Synthesis, antibacterial, antifungal, antimycobacterial activity evaluation of novel 1,2,4-triazole derivatives bearing 4-aminophenyl moiety


Betül Kaya, Leyla Yurttas, Meral Yılmaz Cankılıç and Zafer Asım Kaplancıklı.


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Tranylcypromine Attenuates Senescence in Dental Pulp Stem Cells


Junjun Liu, Zhi Liu, Chunyan Wang, Fang Yu, Wenping Cai, Xi Lu, Rongbin Wei, Shouliang Zhao, Yumei Zhao and Shangfeng Liu.


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Homology Modeling in Drug Discovery-An Update on the Last Decade


Mahmoud E. S. Soliman and Geraldene Munsamy.


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Synthesis and Antimicrobial Activities of Hybrid Heterocyclic Molecules Based on 1-(4-Fluorophenyl)piperazine Skeleton


Serap Basoglu Ozdemir, Neslihan Demirbas, Yıldız Uygun Cebeci, Hacer Bayrak, Arif Mermer, Sule Ceylan and Ahmet Demirbas.


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Docking-Based 3D-QSAR Studies of Phosphodiesterase 9A Inhibitors


Changji Tan, Yinuo Wu, Yongxian Shao, Haibin Luo, Xuehua Zheng and Laiyou Wang.


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Pharmacodynamic Evaluation of Novel Tetrandrine-loaded Chitosan Microspheres


Kefang Guo and Jing Cang.


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Synthesis, Molecular Docking Studies and Biological Evaluation of 3-Iminoaurones as Acetylcholinesterase and Butyrylcholinesterase Inhibitors


Ehsan Ullah Mughal, Amina Sadiq, Bilal Ahmad Khan, Muhammad Naveed Zafar, Ishtiaq Ahmed and Muhammad Zubair.


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Effects of Tetrahydroxystilbene Glucoside on Liver P450 Enzyme Expressions in Lipopolysaccharide-Induced Dopamine Neuronal Damage Rats


Guo-Qing Wang, Yan-Zhen Zhou, Jia-Wei Tian, Jing-Shan Shi, Jie Liu and Feng Zhang.


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New N’-Arylidene-2-[(4-Nitrophenyl)Piperazın-1-yl]Acetohydrazide Derivatives: Synthesis and Anticancer Activity Investigation


Leyla Yurttas, Zafer A. Kaplancıklı and Şennur Görgülü-Kahyaoğlu.


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In vitro and in silico Analysis of β-lactam Derivatives as Antimycobacterial Agents


Julieta Luna-Herrera, Edgar E. Lara-Ramirez, Ana R. Muñoz-Duarte, Fabian E. Olazaran-Santibañez, Manuel J. Chan-Bacab, Rosa Moo-Puc, Alondra M. Perez-Vazquez, Cynthia M. Morales-Reyes and Gildardo Rivera.


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Molecular Docking, Synthesis and CNS Activity of Some Novel 1, 4-Benzodiazepine Derivatives


Sunil S. Menghani, Rupesh Chikhale, Amit Pant, Bijo Mathew and Pramod Khedekar.


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Antiproliferative Activity of Olive Oil Phenolics against Human Melanoma Cells


A. L.M. Batista de Carvalho, F. Caselli, V. Rodrigues, F. Paiva-Martins and M P Marques.


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Extended-release Formulation Attenuates the Impacts of Fluvastatin on Serum PCSK9 Levels in Humans


Yuan-Lin Guo, Wei Zhang, Qian Dong, Geng Liu, Cheng-Gang Zhu, Jing Sun, Rui-Xia Xu and Jian-Jun Li.


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Alzheimer’s Disease Drugs - in vitro Comparison of Cholinesterase Inhibition and beta-amyloid Modulation


Ondrej Holas, Jan Korabecny, Zuzana Gazova, Katarina Siposova, Kamil Musilek, Veronika Opletalova, Lukas Gorecki, Katarina Spilovska, Eva Mezeiova and Kamil Kuca.


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Design, Synthesis and Evaluation of Dual-targeting Prodrug Co-modified by Organic Amine and L-Ascorbic Acid for CNS Delivery


Shubing Qiu, Yi Zhao, Sha Liu, Xiaocen Li, Li Guo, Li Hai and Yong Wu.


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Design, Synthesis, Characterization, Molecular Docking, ADME Properties and In Vivo Antipsychotic Activity of Aripiprazole Related Drugs Candidates


Selvarasu Sekar, Srinivasan Pazhamalai, Ganesan Ariharasivakumar and Mannathusamy Gopalakrishnan.


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Vitamin B12 Controlled Release with Crosslinked Poly(Acrylic Acid) and Poly(Methacrylic Acid) Based on Chitosan and Starch as pH Sensitive Hydrogels


Massomeh Ghorbanloo and Somaieh Tarasi.


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A Brief Overview on Chemistry and Biology of Benzoxepine


Naveen Kuntala, Jhonsee R. Telu, Jaya S. Anireddy and Sarbani Pal.


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The Decisive Role of Mutual Arrangement of Hydroxy and Methoxy Groups in (3(4)-hydroxy-4(3)-methoxyphenyl)-4,7-dimethyl-3,4,4a,5,8,8ahexahydro- 2H-chromene-4,8-diols in their Biological Activity


Alla Pavlova, Oksana Patrusheva, Irina Il'ina, Konstantin Volcho, Tat'yana Tolstikova and Nariman Salakhutdinov.


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Antitubercular and Antimicrobial Activity of NH4VO3 Promoted 1,4- Dihydropyridine Incorporated 1,3,4-trisubstituted Pyrazole


Harikrishna Nandam, Arun M. Isloor, Ananda Kulal, Tanya Parish, Joazaizulfazli Jamalis, Hazem A. Ghabbour and Hoong-Kun Fun.


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Synthesis and Evaluation of Anti-Tuberculosis and Anti-Cancer Activities of Hydrazones and N-Acylhydrazones by Using Sonochemistry, a New General Procedure


Ligia Souza da Silveira Pinto, Marcus Vinicius Nora De Souza and Carlos Roland Kaiser.


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Molecular Docking, 3D-QSAR and Structural Optimization of Indole Biphenylcarboxylic Acids as PPARγ Antagonists


Xin Liu, Zhi Jing, Wenqing Jia, Shuqing Wang, Weiren Xu and Xian-Chao Cheng.


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Copper Complexes of 8-Aminoquinoline and Uracils as Novel Aromatase Inhibitors


Nujarin Sinthupoom, Veda Prachayasittikul, Ratchanok Pingaew, Apilak Worachartcheewan, Supaluk Prachayasittikul, Somsak Ruchirawat and Virapong Prachayasittikul.


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Withania somnifera Phytochemicals Confer Neuroprotection by Inhibition of the Catalytic Domain of Human Matrix Metalloproteinase-9


Gaurav Kumar, Pankaj Paliwal and Ranjana Patnaik.


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Novel Chromeno[2,3-d]pyrimidines - Design, Synthesis and Antioxidant Activity


Kotiah Yalagala, Sreekantha B. Jonnalagadda, Suresh Maddila, Surjyakanta Rana and Surya Narayana Maddila.


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Development of Xanthine Based Inhibitors Targeting Phosphodiesterase 9A


Nivedita Singh, Parameswaran Saravanan, M.S. Thakur and Sanjukta Patra.


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Molecular Docking and Structure Activity Relationship Studies of NSAIDs. What do they Reveal About IC50?


Chrysoula Mikra, Georgios Rossos, Sotirios K Hadjikakou and Nikolaos Kourkoumelis.


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NF-κB Inhibitors in Head and Neck Cancer


Siddavaram Nagini, Kranthi Kiran Kishore Tanagala and Indranil Chattopadhyay.


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Synthesis and Evaluation of New Thiazolyl Hydrazone Derivatives as Potential Anticancer Agents


Zafer Asim Kaplancikli, Belgin Sever, Mehlika Dilek Altıntop, Özlem Atlı, Merve Baysal and Ahmet Özdemir.


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Nano Conjugated PLGA-Chlorambucil: Synthesis In Vitro Anti Non- Hodgkin's Lymphoma Cellular Assay


Fatemeh Monnavari, Artin Assadi, Hossein Heidari, Rahimeh Rasouli, Mostafa Saffari, Seyed Ataollah Sadat Shandiz, Mohammad Reza Aghasadeghi, Peyman Keyhanvar, Farnoor Davachi Omoomi, Mohammad saffari, Seyed Esmaeil Sadat Ebrahimi, Morteza Pirali Hamedani and Mehdi Shafiee Ardestani.


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Synthesis of Mannich Bases by Two Different Methods and Evaluation of their Acetylcholine Esterase and Carbonic Anhydrase Inhibitory Activities


Halise Inci Gul, Alkan Demirtas, Gokbay Ucar, Parham Taslimi and İlhami Gulcin.


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Homology Modeling of Human Nicotinamide/Nicotinic Acid Mononucleotide Adenylyltransferase 2: Insights into Isoenzyme-Specific Differences Using Molecular Docking Simulatons


Gokcen Eren.


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Synthesis, Anti-inflammatory and Molecular Docking Study of Schiff Bases Containing Methanesulphonyl Pharmacophore


Khaled R. A. Abdellatif, Mohammed T. Elsaady, Salah A. Abdel-Aziz and Ahmed H A Abu Sabah.


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Benzopentathiepine Derivative, 8-(Trifluoromethyl)-1,2,3,4,5-Benzopentathiepin- 6-Amine Hydrochloride (TC-2153), As a Promising Antidepressant of New Generation


Elizabeth A. Kulikova, Konstantin Volcho, Nariman Salakhutdinov and Alexander V Kulikov.


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Synthesis and Antiproliferative Activities of Novel O-Benzyl Salicylamide Derivatives


Jan Dušek, Aleš Imramovský, Karel Pauk, Radek Jorda, Eva Řezníčková and Vladimír Kryštof.


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Possible Binding Mode Analysis of Pyrazolo-triazole Hybrids as Potential Anticancer Agents through Validated Molecular Docking and 3D-QSAR Modeling Approaches


Sk. Abdul Amin, Nilanjan Adhikari, Ramkishore Agrawal, Tarun Jha and Shovanlal Gayen.


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3D-QSAR Studies of HDAC6 Inhibitors Using Docking-Based Alignment


Chunqi Hu, Liang Hong, Jun Li and Wenting Du.


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Novel Indole-Isoxazole Hybrids: Synthesis and In Vitro Anti-cholinesterase Activity


Fahimeh Vafadarnejad, Mina Saeedi, Mohammad Mahdavi, Ali Rafinejad, Elahe Karimpour-Razkenari, Bilqees Sameem, Mahnaz Khanavi and Tahmineh Akbarzadeh.


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Design, Synthesis, Antioxidant and Anticancer Activity of New Coumarin Derivatives Linked with Thiazole, Isoxazole or Pyrazole Moiety


Khaled Abdellatif, Mohamed Abdelgawad, Heba Elshemy, Nesma Kahk and Dalia M El Amir.


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Fe3+-Tryptophan-3-Hydroxy-2-Methyl or ethyl pyridinones towards Novel Molecular Tumor Nuclear Resonance Imaging Agents


Ali Khalaj, Shadi Hosseini, Rahimeh Rasouli, Artin Assadi, Seyedeh Ghoreishi and Mehdi Shafiee Ardestani.


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Synthesis of Phosphorylated Derivatives of 2′, 3′-O-Isopropylidene Adenosine and their In Ovo Antiviral Activity


S. Rasheed, C. Naga Raju, G. Madhava, Ch. Subramanyam, S.K. Thaslim Basha, A. Jannardhan and G Narasimha.


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Quorum Sensing Inhibitor Activities of Celecoxib Derivatives in Pseudomonas aeruginosa


Seyhan Ulusoy, Sevil Aydın, İnci Coşkun, Gülgün Boşgelmez-Tınaz, Laurent Soulere, Yves Queneau and Ş Güniz Küçükgüzel.


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Polyphenolic Compound from Vitis vinifera L. Have Potential for the Alzheimer Disease Treatment


Soukup Ondrej, Stralkova Radomira, Mistova Tereza, Popov Marek, Hejtmankova Alena, Lachman Jaromir, Klimova Blanka and Kuca Kamil.


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A Facile Synthesis and Drug Design of Some New Heterocyclic Compounds Incorporating Pyridine Moiety and Their Antimicrobial Evaluation


Sobhi M. Gomha, Fathy M. Abdelrazek, Aly H. Abdelrahman, Peter Metz and Mohsen A Sayed.


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A Two QSAR Way for Antidiabetic Agents Targeting Using α-Amylase and α-Glucosidase Inhibitors: Model Parameters Settings in Artificial Intelligence Techniques


Karel Diéguez-Santana, Hai Pham-The, Oscar Miguel Rivera-Borroto, Amilkar Puris, Huong Le-Thi-Thu and Gerardo M Casañola-Martin.


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Synthesis, Enzyme Assays and Molecular Docking Studies of Fluorinated Bioisosteres of Santacruzamate A as Potential HDAC Tracers


Muneer Ahamed, Koen Vermeulen, Michael Schnekenburger, Lise Román Moltzau, Finn Olav Levy, János Marton, Mathy Froeyen, Dag Erlend Olberg, Marc Diederich and Guy Bormans.


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Computational Analysis of Pyridopyrimidine-based Polo Like Kinase 2 (PLK2) Inhibitors: Examining the Structural Basis for Anticancer Activity


Anand Balupuri, Pavithra K. Balasubramanian and Seung Joo Cho.


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Synthesis of Novel 4-(Dimethylaminoalkyl)piperazine-1-carbodithioate Derivatives as Cholinesterase Inhibitors


Ulviye Acar, Serkan Levent, Begüm Nurpelin Sağlık, Yusuf Özkay and Zafer Asım Kaplancıklı.


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In Vivo Antimalarial and In Vitro Antileishmanial Activity of 4-Aminoquinoline Derivatives Hybridized to Isoniazid or Sulfa or Hydrazine Groups


Clarice Abramo, Roberta R. Soares, Luciana MR Antinarelli, Isabela de Oliveira Souza, Fernanda V. Lopes, Kézia Katiani Gorza Scopel and Adilson D da Silva.


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Cytotoxic, Apoptotic and DNA Synthesis Inhibitory Effects of Some Thiazole Derivatives


Gülşen Akalın Çiftçi, Mehlika Dilek Altıntop, Halide Edip Temel, Ahmet Özdemir and Zafer Asım Kaplancıklı.


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Synthesis, Docking and Antidiabetic Activity of Some Newer Benzamide Derivatives as Glucokinase Activators


Rohit Singh, Viney Lather, Deepti Pandita, Vikramjeet Judge, Karthikeyan N. Arumugam and Ajmer Singh Grewal.


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The Summation of Atomic Contributions is an Overly Simplified Characterization of the Holistic Molecular Behavior


Yoan Martínez-López, Yovani Marrero-Ponce, Gustavo Echeverri Jaramillo and Stephen J Barigye.


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Model for Classification of ChEMBL Dataset of Anti-breast cancer Compounds According to Multiple Pharmacological Parameters, Biological Assays, and Receptors


Francisco J. Prado-Prado, Angel G. Arguello-Chan, Coraima I. Estrada-Domínguez, Alejandra Aguirre-Crespo, Francisco J. Aguirre-Crespo and Xerardo García-Mera.


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Preparation and Characterization of CS/(β-CD)/PAA Composite Hydrogels for Controlled Drug Delivery


Jie Ren, Xiaoci Yang, Mengqi Yao, Jinfen Gu, Xiaohua Tang and Wu Yang.


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