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


Volume 13, 10 Issues, 2016


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Letters in Drug Design & Discovery

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Editor-in-Chief:
Atta-ur-Rahman, FRS
Honorary Life Fellow
Kings College
University of Cambridge
Cambridge
UK
Email: lddd@benthamscience.org

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Upcoming Articles (E-Pub Abstracts ahead of Print)

Preparation of Chlorotoxin-Conjugated Superparamagnetic Nanoparticle and its Magnetic Resonance Imaging in Vitro


Xiao Enhua.


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Pharmacokinetics of Selegiline in a Rabbit Model


Huba Kalasz.


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Synthesis and Anticancer Activity of 2-Aryl-6-diethylaminoquinazolinone Derivatives


Won-Jea Cho and Thanh Nguyen Lea.


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Novel Biphenyl Derivatives with α-Aminophosphonate Moiety: Design, Synthesis and Antivirus Activity


Guo Ping Zhang.


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An Efficient Nonconventional Glycerol-Based Solid Acid Catalyzed Synthesis and Biological Evaluation of Phosphonate Conjugates of 1,2,4-Triazole Thiones


M SR Murty.


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Molecular Modeling Studies of Urea-Morpholinopyrimidine Analogues as Dual Inhibitors of mTORC1 and mTORC2 using 3D-QSAR, Topomer CoMFA and Molecular Docking Simulations


Xiaodong Gao, Yujie Ren, Jianqing Huang and Anjian Pan.


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Cytotoxicity of Hydrazones of Morpholine Bearing Mannich Bases towards Huh7 and T47D Cell lines and Their Effects on Mitochondrial Respiration


Kaan Kucukoglu, Halise Inci Gul, Mustafa Gul, Rengul Cetin-Atalay, Yosra Baratli and Bernard Geny.


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Synthesis of Some Novel 2-Azetidinones/4-Thiazolidinones Bearing 1, 3, 4-Thiadiazole Nucleus and Screening for Its Anti-Imflammatory Activity


B. Gowramma, T. K. Praveenc, R. Kalirajana and B Babub.


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Synthesis and Biological Evaluation of Macamides Derivatives as Potent Inhibitors of Breast Cancer Cell MCF-7


Xiao Xia Liang, Cheng Xiong, Min He, Changliang He and Zhongqiong Yin.


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Reversal of Multi-Drug Resistance in Staphylococcus aureus by Natural Product-Way Forward


Saba Farooq, Atia-tul-Wahab, Ali Azarpira, Atta-ur-Rahman and M Iqbal Choudhary.


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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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QSPR Model for Dispersibility of Graphene in Various Solvents


Alla P. Toropova and Andrey A Toropov.


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Efficient Synthesis of Pamidronic Acid Using an Ionic Liquid Additive


Alajos Grun, David Illes Nagy, Sándor Garadnay, Istvan Greiner and Gyorgy Keglevich.


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Synthesis and Biological Evaluation of Some New Indolizine Derivatives as Antitumoral Agents


Liliana Lucescu, Elena Bicu, Dalila Belei, Joelle Dubois and Alina Ghinet.


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Synthesis and Evaluation of Compounds Containing 4-Arylpiperazinyl Moieties Linked to a 2-(Pyridin-3-yl)-1H-Benzimidazole as p38 MAP Kinase Inhibitors


Mohamed Ashraf Ali, Hasnah Osman, Raju Suresh Kumar, Abdulrahman I. Almansour, Vijay H. Masand and Theivendren Panneerselvam.


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Progress on the Discovery of Inhibitors of InhA, the FAS II Enoyl-ACP Reductase


Yi Zhang, Longxiang Xie and Jianping Xie.


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Synthesis of 2-, 3- or 4-Phenylsubtituted Chalcones Based on 4-Phenylamino-6-Nitro-2-[(E)-2-Phenylvinyl] Quinoline, Evaluation of their Antimicrobial and Antifungal Activity


Sulochna Mudaliyar, Kishor H. Chikhalia and Nisha K Shah.


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In Silico Studies toward the Discovery of Novel Type-II Inhibitors of TrkA: Pharmacophore-Based 3D-QSAR Modeling, Database Screening and Molecular Docking


Yahui Tian, Lu Zhou, Xiaoli Li, Suwen Zhou, Rong Yong and Liangliang Zhong.


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Microwave Assisted Synthesis and Antifungal Activity of Some Novel Hydrazones Containing Pyridine Moiety


Li-Jing Min, Yan-Xia Shi, Ming-Yan Yang, Zhi-Wen Zhai, Jian-Quan Weng, Cheng-Xia Tan, Xing-Hai Liu, Bao-Ju Li and Yong-Gang Zhang.


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Synthesis & Characterization of 2-(Substituted-Phenyl) Acetohydrazide Analogs, 1, 3, 4-Oxadiazoles, and 1,2,4-Triazine Ring Systems: A Novel Class of Potential Analgesic and Anti-Inflammatory Agents


Prakash S. Nayak, Badiadka Narayana, Jennifer Fernandes, Balladka K. Sarojini, Sana Sheik, Kenkere S. Shashidhara, Konambi R. Chandrashekhar and Kullaiah Byrappa.


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Prediction of Acridinones’ Ability to Interstrand DNA Crosslinks Formation using Connected QSRR and QSAR Analysis


Paulina Szatkowska-Wandas and Marcin Koba.


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Molecular Docking and 3D-QSAR Studies on Quinolone-based HDAC Inhibitors


Yi Bi, Zeyun Liu, Xianxuan Liu, Xiaochen Zhang and Jing Lu.


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In vitro Study of Furazano[3,4-b]quinoxaline 1-Oxides as Potential ΝΟ Releasing Agents


Kosmas I. Stoitsis, Petros Gkizis, Emmanouella Basgiouraki, John K. Gallos and Dimitra Hadjipavlou-Litina.


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TRISOXIME – a Bulky Trisquaternaryreactivator of Acetylcholinesterase


Kamil Kuca, Kamil Musilek and Daniel Jun.


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CoMFA/CoMSIA and Molecular Docking Studies of Novel MatrixMetalloproteinase-2 Inhibitors Based on L-tyrosine Scaffold


Jun-Zhang, Xue-Jiao Wang, Zhen-Ke Dong, Shu-Qing Wang, Wei-Ren Xu, Jing-Wei Fu, Xian-Chao Cheng and Run-Ling Wang.


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Natural Alpha-Glucosidase Inhibitors: Therapeutic Implication and Structure-Activity Relation Ship


Sanae Abid, Ali Berraaouan and Mohamed Bnouham.


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Microwave Assisted Synthesis and Antifungal Activity of Some Novel Thioethers Containing 1,2,4-Triazolo[4,3-a]pyridine Moiety


Zhi-Wen Zhai, Yan-Xia Shi, Ming-Yan Yang, Wen Zhao, Zhao-Hui Sun, Jian-Quan Weng, Cheng-Xia Tan, Xing-Hai Liu, Bao-Ju Li and Yong-Gang Zhang.


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Flexibility in the Molecular design of Acetylcholinesterase Reactivators: Probing Representative Conformations by Chemometric Techniques and Docking/QM Calculations


Willian E.A. de Lima, Ander F. Pereira, Alexandre A. de Castro, Elaine F.F. da Cunha and Teodorico C Ramalho.


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Synthesisand Microbial Evaluation of Versatile Base Catalyzed Chiral Tetrahydrobenzofuran Derivatives via Multicomponent Reaction


Khushal Kapadiya, Rohit Kotadiya, Kishor Kavadia, Ramesh Kothari, Krunal Mehariya and Ranjan Khunt.


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Endothelium Dependent and Independent Mechanisms of Vasorelaxant Activity of Synthesized 2,5-Disubstituted-1,3,4-Oxadiazole Derivatives in Rat Thoracic Aorta – Ex vivo and Molecular Docking Studies


Zenab Attari, Jayesh Mudgal, Pawan G Nayak, Nandakumar Krishnadas, Revathi Rajappan and N Gopalan Kutty.


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Synthesis, Neuro-Protection and Anti-Cancer Activities of Simple Isatin Mannich and Schiff Bases


Gang Chen, Yang Ning, Wei Zhao, Yanqiu Zhang, Yu Zhang, Xiaojiang Hao, Ye Wang and Shuzhen Mu.


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Identification of Functional Candidates amongst Hypothetical Proteins of Neisseria Gonorrhoeae


Kundan Kumar, Amresh Prakash, Asimul Islam, Faizan Ahmad and Md Imtaiyaz Hassan.


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Sunscreening and Photosensitizing Properties of Coumarins and their Derivatives


Kinga Kasperkiewicz, Anna Erkiert-Polguj and Elzbieta Budzisz.


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Synthesis, Anti-Cancer Activity and Mechanism Study of 6-Mercaptopurine Derivatives


Yu-qin Ma, Xing Yan, Rong Du, Xiao-guang Yang, Yu-xin Li, Ying Gao and Wen-liang Li.


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Design, Synthesis and Mode of Action of some new 2-(4′-aminophenyl)benzothiazole Derivatives as Potent Antimicrobial Agents


Meenakshi Singh, Sudhir Kumar Singh, Mayank Gangwar, Satheeshkumar Sellamuthu, Gopal Nath and Sushil K Singh.


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Modified Hummel–Dreyer Methodand Molecular Modeling Studies Identified Nicotinic Acid Analogues as Carbonic Anhydrase III Ligands


Nada Jarrar, Muhammed Alzweiri, Yusuf Al-Hiari, Shrouq Farah and Mohammad A Khanfar.


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Relationship between Carbapenem Structure and Minimal Inhibitory Concentration of Selected Bacterial Strains


Monika Marczak, Grabowski Tomasz and Feder Marcin.


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Antinociceptive Activities of Some 4,5-Dihydro-1H-Pyrazole Derivatives: Involvement of Central and Peripheral Pathways


Ozgur Devrim Can, Feyza Alyu, Nazlı Turan and Ahmet Ozdemir.


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Structural Insight of NICD-MAML Interactions: Virtual Screening, Docking and Molecular Dynamics Study for Identification of Potential Inhibitor


Noopur Sinha, Saikat Chowdhury and Ram Rup Sarkar.


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Design of Novel Biphenyl-2-Thioxothiazolidin-4-One Derivatives as Potential Protein Tyrosine Phosphatase (Ptp)-1b Inhibitors Using Molecular Docking Study


Sant Kumar Verma, Tarun Rajpoot, Manoj K. Gautam, Akhlesh K. Jain and Suresh Thareja.


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2,3,6-trisubstituted quinazolin-4(3H)-one: Exploring Various Chemometric Tools and Artificial Neural Network (ANN) Techniques For Antitumor Activity


M. K. Kathiravan, S. S. Nilewar and A N Kale.


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Comparative Study of the Inhibition of E. coli and Murine Aspartate Transcarbamylase by Phenobarbital Analogues


Mahmoud Balbaa, Razan Hammoud and Hoda Yusef.


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Accumulation Effects of Salicylic acid Saccharide Carboxylate on the Alkaloids in Catharanthus Roseus Cells


Er-Bing Yang, Yong Wang, Hong-Jun Zang, Zheng-Ming Li and Xing-Hai Liu.


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Molecular Docking and Dynamics Simulation of Vibrio Anguillarum Aspartate Semialdehyde Dehydrogenase with Natural Product Caulerpin


Parasuraman Aiya Subramani, Radha Mahendran and Rajamani Dinakaran Michael.


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Discovery of Potential Dual Inhibitors against Lipases Rv0183 and Rv3802c for Tuberculosis Therapeutics


Parameswaran Saravanan and Sanjukta Patra.


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Synthesis and PropertiesofBrassinosteroid Biosynthesis Inhibitor Fluorescent Probe with Dansyl Moiety


Tomoki Hoshi, Yuko Yoshizawa and Keimei Oh.


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