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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G. Perry
University of Texas
San Antonio, TX
USA


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Articles Ahead of Print

Exploration of Some Thiazolidine-2,4-dione and 2-Oxoindoline Derivatives Incorporating 3,4,5-Trimethoxybenzyl Moiety as Novel Anticancer Agents


Le Cong Huan, Hai Pham-The, Huong Le-Thi-Thu, Tran Phuong Thao , Do Nguyet Que , Nguyen-Thu Trang, Phan Thi Phuong Dung, Minji Pyo, Sang-Bae Han , Nguyen Thi Thuan and Nguyen-Hai Nam.


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QSAR and Molecular Docking Studies on a Series of 1-Amino-5H-pyrido [4, 3-b]indol-4-carboxamides acting as Janus Kinase 2 (JAK2) Inhibitors


K. Anita, Tabassum Zafar, Satya P. Gupta and Bashirulla Shaik.


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The Effectiveness of Different Treatment Modalities for the Management of Ocular Injuries Following Sulfur Mustard Exposure


Yunes Panahi, Mostafa Naderi, Shahbaz Nekoozadeh, Seyyed Mahdi Rajaee and Amirhossein Sahebkar.


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Pd/C-catalyzed Synthesis of 4-biaryl Substituted 2-amino benzo[h] chromene Derivatives as Potential Cytotoxic Agents


Meda Haritha, Chekuri Sharmila Rani, Mandava V. Basaveswara Rao and Manojit Pal.


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Spices Chemoconstituents as Persuasive Inhibitor of S. Typhimurium Virulent Protein L-Asparaginase


Archana Vimal and Awanish Kumar.


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Design, Synthesis and in silico Studies of New 5-substituted-2-(2-(5-aryl- 1H-1, 2, 4-triazole-3-ylthio) acetyl) Hydrazine Carbothioamide/ Carboxamides for Anticonvulsant Activity


Sarangapani Manda, Venkatesham Akena, Ajitha Makula and Radhika Chelamalla.


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High Throughput Screening and Molecular Docking of Calmodulin with Antagonists of Trifluoperazine and Phenothiazine Chemical Class


Abdelmonem Messaoudi, Zarrin Basharat and Asif Naqvi.


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Molecular Docking Studies of Novel Thiosemicarbazone-Based Indoles as Potential PI3Kα Inhibitors


Dima A. Sabbah and Kamal Sweidan.


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Synthesis and Anti-oxidant Evaluation of Some Novel Sulfa Drugs


Moustafa Ahmed Gouda and Belal Hussein M Hussein.


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α-Glucosidase Inhibition, Antioxidant and Docking Studies of Hydroxycoumarins and their Mono and bis O-alkylated/acetylated Analogs


Parvesh Singh, Nomandla Ngcoya, Ramgopal Mopuri, Nagaraju Kerru, Neha Manhas, Oluwakemi Ebenezer and Md Shahidul Islam.


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Microwave-assisted Synthesis and Antifungal Activity of Novel 1,2,4- Triazole Thioether Derivatives Containing Pyrimidine Moiety


Meng Xu, Ya-Bo Zhu, Mei Wang, Ikhlas A. Khan, Xing-Hai Liu and Jian-Quan Weng.


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An Improved Preparation of (R)-3-Aminobutanol, a Key Intermediate for the Synthesis of Dolutegravir Sodium


Y. Srinivasa Rao, B. Hari Babu, I. Aminual, D. Nageshwar and PVV Satyanarayana.


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Exploration of Angiotensin II Type 1 Receptor Modulators by Molecular Fingerprints and Docking Simulations


Sarfaraj Niazi, Vishwamohana Hebbar M, Pooja Mathew, Raj Kumar D and Madhusudan Purohit.


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The Antiviral Effects of Harmine Against BoHV-1 Infection in vitro


Xinyi Jiang, Jie Zou, Yuncheng Zhuang, Weifeng Yuan, Liqian Zhu and Guoqiang Zhu.


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Synthesis and Preliminarily Cytotoxicity to A549, HCT116 and MCF-7 Cell Lines of thieno[2,3-d]pyrimidine Derivatives Containing Isoxazole Moiety


Jianping Yong, Canzhong Lu and Xiaoyuan Wu.


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Synthesis of New Heteroaryl Substituted Morpholine Tagged Triazines and Evaluation of their Cytotoxic Activity


Siva Prasad Kasturi, Sujatha Surarapu, Srinivas Uppalanchi, Hasitha Shilpa Anantaraju, Shubham Dwivedi, Perumal Yogeeswari, Krishna S. Ethiraj and Jaya Shree Anireddy.


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Synthesis and Assessment of Novel Anti-chlamydial Benzylidene Acylhydrazides Derivatives


Xiaofeng Bao, Ying Xue, Chao Xia, Yin Lu, Ningjing Yang and Yu Zhao.


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Analytical Procedures for Secondary Metabolites Determination: Recent Trends and Future Perspectives


Gökhan Zengin, Luigi Menghini, Giuseppe Bellagamba, Marcelli Fabiana, Elisa De Luca, Luca Armellani, Roberta Cifelli, Arianna Granese, Nilgun Zengin and Abdurrahman Aktumsek.


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QSAR Modeling of Aminopeptidase N/CD13 (APN) Inhibitory Activity of some Leucine Ureido Derivatives by GA-MLR and SW-MLR Methods


Naser Faraji, Tannaz Zebardast, Afshin Zarghi and Zahra Hajimahdi.


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Design, Synthesis and Pharmacological Evaluation of Some Novel Tetrahydrocarbazoles as Potential COX-2 Inhibitors


Padmavathi Sakinala, Rupesh V Chikhale and Madhuka Tajne.


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Design and Synthesis of Amino Acid Tethered Thiazolones to Screen for Hepatitis C NS5B Polymerase Inhibitors


Yili Ding, Kenneth L. Smith and Chamakura V N S Varaprasad.


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Design, Synthesis, and Screening of Hybrid Benzothiazolyl-Oxadiazoles as Anticonvulsant Agents


Sheikh Murtuja, M. Shaququzzaman and Mohammad Amir.


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Molecular Simulation and Activity Studies of Oxametacin as an HDAC Inhibitor


Fanbo Jing, Lei Zhang, Yepeng Luan and Jiang Bian.


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Computational Studies of N-substituted Quinolinonyl Diketo Acid Derivatives as HIV Integrase Strand Transfer Inhibitors using 3D-QSAR, Pharmacophore Modeling and Molecular Docking


Yuming Luo, Yujie Ren and Xiaodong Gao.


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Herbal Medicines: Application of a Sequential Voltammetric Procedure to the Determination of Mercury, Copper, Lead, Cadmium and Zinc at Trace Level


Dora Melucci, Marcello Locatelli, Francesco De Laurentiis, Gokhan Zengin and Clinio Locatelli.


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Synthesis and Herbicidal Evaluation of Aryloxyphenoxypropionate Derivatives Containing Purine Moiety


Jianjun Shi, Guihua Ren, Zhimeng Dai, Ningjie Wu, Jianquan Weng, Tianming Xu and Xing-Hai Liu.


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Molecular Docking Simulations as a Prominent Tool to Envisage the Preformulation Perspectives of Oral Hypoglycaemic Agents with β - Cyclodextrin


Sant Kumar Verma and Akhlesh Kumar Jain.


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Synthesis and Anti-influenza Activity of Novel Thiadiazole, Oxadiazole and Triazole Based Scaffolds


Samar S. Tawfik, Abdelbasset A. Farahat, Magda A.-A El-Sayed, Atif S. Tantawy, Ola Bagato and Mohamed A Ali.


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Design, Synthesis and Antiproliferative Activities Evaluation of Thiazolopyrimidines Derivatives through Biginelli Reaction


Pengju Zhu, Huansheng Fu and Hao xFang.


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Synthesis and Antiproliferative Activity of 3-Aza Steroids as 5α-reductase Inhibitors


Milanpreet Kaur, Richa Dhingra, Tilak Raj Bhardwaj and Neelima Dhingra.


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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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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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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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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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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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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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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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Development of Xanthine Based Inhibitors Targeting Phosphodiesterase 9A


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


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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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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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