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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Articles Ahead of Print

Peptide Drugs QSAR Study Based on Topomer CoMFA


Jianbo Tong, Lingxiao Li, Kangnan Li and Min Bai.


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Synthesis and Structure-Activity Relationships of Chalcone Derivatives as Inhibitors of Ovarian Cancer Cell Growth


Zachary D. Tucker, Francis J. Barrios and Amanda J Krzysiak.


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Preparation and Characterization of Mixed Polymeric Micelles as a Versatile Strategy for Meloxicam Oral Administration


Cláudia Amaral, Mariana Magalhães, Célia Cabral, Francisco Veiga and Ana Figueiras.


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N-(2-(Arylmethylimino)Ethyl)-7-Chloroquinolin-4-Amine Derivatives: A New and Potent Class of Anticancer Agents


Ligia S. da Silveira Pinto, Marcus V. N. De Souza, Carlos R. Kaiser, James L. Wardell and Solange MSV Wardell.


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New Oxadiazole Derivatives: Synthesis and Appraisal of Their Potential as Antimicrobial Agents


Deboleena Dhara, Dhanya Sunil, Pooja R. Kamath, K. Ananda, S. Shrilakshmi and S Balaji.


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In Silico Prioritization, Synthesis and in vitro Evaluation of Tembamide Analogs for Anti-HIV Activity


Shiv Gupta, Sanjay Kumar, Nisha Jariwala, Deepali Bhadane, Kamlesh Kumar Bhutani, Smita Kulkarni and Inder Pal Singh.


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A SAR Study: Evaluation of Bromo Derivatives of 8-Substituted Quinolines as Novel Anticancer Agents


Salih ökten, Osman çakmak, Şaban tekin and Tuğba Kul köprülü.


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CETP Inhibitory Activity of Chlorobenzyl Benzamides: QPLD Docking, Pharmacophore Mapping, and Synthesis


Reema Abu Khalaf, Hamada Abd El-Aziz, Dima Sabbah, Ghadeer Albadawi and Ghassan Abu Sheikha.


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A Study on Identification of Nutraceutical Value of New Imidazolone Schiff Base Analogues


Subbulakshmi N. Karanth, Badiadka Narayana, Balladka Kunhanna Sarojini, Saleemulla Khan and Shashidhara S Kenkere.


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2D, 3D, G-QSAR and Docking Studies of Thiazolyl-Pyrazoline Analogues as Potent (Epidermal Growth Factor Receptor-Tyrosine Kinase) EGFRTK Inhibitors


Sunayana Ghodgaonkar, Shashikant Bhandari and Sandeep Waghulde.


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Novel Ferulic Acid-Donepezil Hybrids as Multifunctional Agents for the Treatment of Alzheimer’s Disease with Butyrylcholinesterase, Amyloid-β, Antioxidant and Neuroprotective Properties


Tianping Li, Wanli Pan, Keren Wang, Wenmin Liu, Qianwen Ma and Zhipei Sang.


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Inhibitory Effects of Flavonolignans from Silybum marianum (L.) Gaertn (Milk Thistle) on Function of Aldehyde Oxidase and Xanthine Oxidase in Rats


Nafiseh Alizadeh, Morteza Eskandani, Khalil Tondro, Mohamad-Reza Rashidi and Hossein Nazemiyeh.


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Chemical Constituent and Biological Activities of Spatoglossum asperum J. Agardh from Oman Sea


Nasrin Movahhedin, Hossein Nazemiyeh, Jaleh Barar, Solmaz Esnaashari and Amir Hossein Movahhedin.


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The Peptide Argireline-The Importance of Local Application on the Skin, in the Light of Current Knowledge


Agnieszka Anna Dana and Helena Rotsztejn.


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Synthesis, Docking and Evaluation of Phenylacetic Acid and Trifluoromethylphenyl Substituted Benzamide Derivatives as Potential PPARδ Agonists


Ajmer Singh Grewal, Viney Lather, Deepti Pandita and Garima Bhayana.


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Hydroxamate Inhibitor Profiling of Both Zn2+- and Ni2+-Activated Glyoxalase I Metalloenzymes Having Diverse Quaternary Structures


Uthaiwan Suttisansanee and John F Honek.


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Multiplication of Mycobacterium tuberculosis in Peripheral Blood of Mice and Effect of Anti-tubercular Drugs on Bacteremia


Richa Dwivedi, Shubhra Singh, Priyanka Trivedi and Vinita Chaturvedi.


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New Cyclohexylamine-Dithiocarbamate Derivatives as Potential Antimicrobial Agents


Leyla Yurttas, Betül Kaya Çavuşoğlu, Meral Yılmaz Cankılıç and Serkan Levent.


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Molecular Docking and In Silico ADMET Study Reveals Flavonoids as a Potential Inhibitor of Aromatase


Samir Patel, Umang Shah, Mehul Patel and Jagat Upadhyay.


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Neurokinin-1 Receptor Antagonists in Lung Cancer Therapy


Miguel Muñoz, Marisa Rosso and Rafael Coveñas.


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The Impact of 5-Substituted Uracil Derivatives on Immortalized Embryo Lung Cells


Stanislav Anatol`evich Grabovskiy, Natalie N. Kabal`nova, Nadezhda M. Andriayshina, Vladislav I. Egorov, Lenar R. Valiullin, Alexey A. Nabatov, Ivan S. Raginov and Yurii I Murinov.


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Synthesis and Antimicrobial Activity of Some Novel Substituted 3- (Thiophen-2-yl)pyrazole-based Heterocycles


Bakr F. Abdel-Wahab, Abdelbasset A. Farahat, Ghada E. A. Awad and Gamal A El-Hiti.


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P42.3 in Gastric Carcinoma: A Novel Biomarker and Promising Therapeutic Target


Dong-Sheng Pei, Jun-Nian Zheng, Xin Ren, Fu-Chun Huo, Lu-Lu Wei and Hui Jing.


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Ultrasound Assisted Faster and Milder Approach to 6H-pyrido[1,2-a] quinazolin-6-imine Derivatives as Potential Inhibitors of PDE4


A. S. G. Prasad, T. Bhaskara Rao, D. Rambabu, Mandava V. Basaveswara Rao and Manojit Pal.


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Ultrasound Assisted-synthesis and Biological Evaluation of Piperazinylprop- 1-en-2-yloxy-2H-chromen-2-ones as Cytotoxic Agents


Anna Pratima G. Nikalje, Shailee V. Tiwari, Jaydeep G. Tupe, Vivek K. Vyas and Gulamnizami Qureshi.


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Arginine- and Lysine-rich Peptides: Synthesis, Characterization and Antimicrobial Activity


Adriano Mollica, Giorgia Macedonio, Azzurra Stefanucci, Roberto Costante, Simone Carradori, Valentina Cataldi, Mara Di Giulio, Luigina Cellini, Romano Silvestri, Cesare Giordano, Anita Scipioni, Pasqualina Punzi and Sako Mirzaie.


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Characterization and Evaluation of the Antioxidant Activity of Calamusenone, a Major Component of Hyptis pectinata (L.) Poit Essential Oil


Mairim R. Serafini, Daviane M.C. Vergne, Paula P. Menezes, João P.A. Santos, Thallita K. Rabelo, Shanmugam Saravanan, Péricles B. Alves, Emmanoel V. Costa, Hugo César R. Jesus, Marcos J. Salvador, Daniel P. Gelain, José C.F. Moreira, Ricardo F. Rocha, Adriano A.S. Araújo and Lucindo J Quintans-Júnior.


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Effect Antimicrobial, Gastroprotective and Healing of Hydroalcoholic Extract of Astronium fraxinifolium


Irwin Rose Aalencar de Menezes, Lucindo José Quintas-Júnior, Anita Oliveira Brito Pereira Bezerra Martins, Brito Pereira Bezerra Martins, Cícera Datiane de Morais Oliveira, Gerlânia Oliveira Leite, Henrique Douglas Melo Coutinho, Margareth Linde Athayde, Aline Augusti Boligon, Jacqueline Cosmo Andrade, Larissa Rolim Oliveira, Marta Regina Kerntopf, Roseli Barbosa, Francisco Rafael Alves Santana Cesário and Thales Sousa Coutinho.


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Gastroprotective Activity of Hydroalcoholic Extract of the Stryphnodendron Rotundifolium Mart. in Mice: Mechanism Actions Assay


Dayanne Rakelle de Oliveira, Lucindo José Quintas-Júnior, Thaís Rodrigues de Albuquerque, Francisco Elizaudo de Brito Júnior, Cícera Norma Fernandes, Heloísa Helena Fernandes de Souza, Aline Augusti Boligon, Margareth Linde Athayde, Cicero Bezerra Felipe, Henrique Douglas Melo Coutinho, Marta Regina Kerntopf, Roseli Barbosa and Irwin Rose Aalencar de Menezes.


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Synthesis and Anticancer Studies of Novel N-Benzyl pyridazinone Derivatives


Mohamed Elagawany, Mohamed Ibrahim, Tarek S Ibrahim, Amany M AL-Mahmoudy, Alaa Moawad, Mohammed M Ghoneim, Mohamed M Radwan and S S Panda.


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Design, Synthesis and Antibacterial Activities of New Azo-compounds: An Experimental and a Computational Approach


Jamshaid Ashraf, Ehsan Ullah Mughal, Shahzad Murtaza, Amina Sadiq, Sheraz Ahmad Khan Tanoli, Amara Mumtaz, Abdul Hameed, Khalid Mohammed Khan, Ishtiaq Ahmed, Bilal Khalid and Asif Javid.


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Effects of Asphodeline lutea Compounds on Toxicity Models in Isolated Rat Microsomes and Hepatocytes


Magdalena Kondeva-Burdina, Rumyana Simeonova, Vessela Vitcheva, Irina Lazarova, Reneta Gevrenova, Dimitrina Zheleva-Dimitrova, Gokhan Zengin and Nikolay D Danchev.


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In Vitro Evaluation of the Antibacterial Activity and Antibiotic- Modulatory Effect of Gracilaria cervicornis (Tuner) J. Agardh


Israeliane F. Cordeiro, Henrique D. M. Coutinho, João V. A. Ferreira, Lucindo José Quintans-Júnior, Irwin R. A. Menezes, Micheline A. Lima, Thiago S. Freitas, Maria Isabeli P. Gonçalo, Francisco Licaon G. Rocha, Rívio Fabrício de Figueirêdo Furtado and Jacqueline C Andrade.


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3,4-Dihydropyrimidin-2(1H)-one C5 Amides as Inhibitors of TNFα Production: Synthesis, Biological Evaluation and Molecular Modeling


Ramin Miri, Omidreza Firuzi, Mohammad Hossein Ghahremani, Katayoun Javidnia, Mehdi Khoshneviszadeh and Ahmad Ebadi.


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Solvent-free Mechano-chemical Synthesis of New Omeprazole Derived Metal Complexes: Characterization, Urease Inhibitory Kinetics and Selective Anti-Helicobacter pylori Activity


Muhammad Amin, Farooq Anwar, Mahmood Anwar, Abdul Karim, Khalid M. Alkharfy and Anwarul-Hassan Gilani.


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Novel Thiazole Carboxylic Acid Derivatives Possessing a “Zinc Binding Feature” as Potential Human Glyoxalase-I Inhibitors


Qosay Ali Al-Balas, Mohammad A. Hassan, Ghazi A. Al Jabal, Nizar A. Al-Shar`i, Ammar M. Almaaytah and Tamam M Elimat.


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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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Inhibition of Product Template (PT) Domain of Aflatoxin Producing Polyketide Synthase Enzyme of Aspergillus parasiticus


Ganesh Chandra Sahoo, maneesh Kumar, sindhuprava Rana, Harish Kumar and Jainendra Kumar.


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Combination of Irbesartan with Amlodipine Enhances Nitrate/Nitrite Generation by Angiotensin II-Exposed Endothelial Cells


Yuji Ishibashi, Takanori Matsui, Nobutaka Nakamura and Sho-ichi Yamagishi.


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3D-QSAR, Topomer CoMFA, Docking Analysis, and ADMET Prediction of Thioether Pleuromutilin Derivatives as Antibacterial Agents


Li Ping Cheng, Zhen Wang and Zhi Wang.


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Acetaminophen (Paracetamol) Facilitated Extinction Learning in Contextual Fear Conditioned Rats


Neelam Zaman, Hammad Ahmad, Mobasher Ali Abid, Nisar -ur- Rahman, Talat Roome and Ghulam Abbas.


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Ultrasound Assisted Synthesis of 2-alkynyl Pyrazolo[1,5-a]pyrimidines as Potential Anti-cancer Agents


Yarlagadda Bharath, Mandava V, Basaveswara Rao and Manojit Pal.


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Quantitative Structure Activity Relationship (QSAR) of Methylated Polyphenol Derivatives as Permeability Glycoprotein (P-gp) Inhibitors: A Comparison of Different Training and Test Set Selection Methods


Parya Ghaemian and Ali Shayanfar.


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Ultrasound-Assisted 3-Component Reaction in Acetic Acid Alone: Catalyst / Promoter / Ligand Free Synthesis of Bioactive Pyrazolo[1,5-a]pyrimidines


Namburi Suresh, Bodapati Veera Durgarao, A. Ratnakar, Sunder Kumar Kolli, Mohd Ashraf Ashfaq, Mandava V. Basaveswara Rao and Manojit Pal.


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Synthesis and Biological Evaluation of 1,3,4-Thiadiazole Linked Phthalimide Derivatives as Anticancer Agents


Zahra Rezaee, Rezvan Javaheri, Mehdi Asadi, Mohammad Mahdavi, Najmeh Edraki, Omidreza Firuzi, Maliheh Safavi, Mohsen Amini, Ali Asadipour, Loghman Firoozpour, Alireza Foroumadi and Shabnam Shabani.


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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, 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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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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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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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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A Brief Overview on Chemistry and Biology of Benzoxepine


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


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


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


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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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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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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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