Letters in Drug Design & Discovery

Editor-in-Chief:

George Perry
University of Texas
San Antonio, TX
USA

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Articles Ahead of Print

3D-QSAR and Docking Studies on Pyrimidine Derivatives as CSF-1R inhibitors

Volume:16
Ya-ting Deng, Jun-wei Wang, Han Chu, Juan Wang, Yong Hu, Yong lin, Mao Shu and Zhi-hua Lin*

International Publication Trends in Proteasome Inhibitors: from Tools for Cell Biologists to Anticancer Agents

Volume:16
Peng Zhou, Minhui Zhu, Caiyun Zhang, Donghui Chen and Hongliang Zheng*

An Efficient Protocol for the Synthesis, Biological Screening and Molecular Docking Studies of 3,4-Dihydropyrimidine-2-one/thione Derivatives

Volume:16
Ehsan Ullah Mughal*, Hafiz Umar Farooq, Amina Sadiq, Hummera Rafique, Sajjad Hussain Sumrra, Muhammad Naveed Zafar, Nighat Fatima, Syed Aun Muhammad, Abdul Manan, Chaudhary Omer Javed and Muhammad Tayyab

Drug Discovery of Acetophenone Derivatives as BRD4 Inhibitors

Volume:16
Zhimin Zhang, Wenhai Huang, Xiaoliang Zheng, Chuansheng Li and Zhengrong Shen*

Design, Synthesis and Antifungal Activity of Novel 1-(Adamantan-1-yl) ethanone Oxime Esters

Volume:16
Si Liu, Li-Zhi Niu, Yan-Hua Shi, Fu-Xian Wan and Lin Jiang*

Recursive Partitioning Analysis and Anti-Tubercular Screening of 3- Aminopyrazine-2-Carbohydrazide Derivatives

Volume:16
Pankaj B. Miniyar*, Anand A. Mahajan, Dattatray D. Anuse, Ashish S. Kumar, Mahesh A. Barmade, Dhiman Sarkar, Manisha Arkile and Vijay M. Khedkar

A Series of Furan-Based Hydrazones: Design, Synthesis, and Evaluation of Antimicrobial Activity, Cytotoxicity and Genotoxicity

Volume:16
Mehlika Dilek Altıntop*, Belgin Sever, Özlem Atlı Eklioğlu, Merve Baysal, Rasime Demirel and Ahmet Özdemir

Novel Strobilurin Derivatives Containing Carboxylate Unit as Potential Antifungal Agents

Volume:16
Longzhu Bao, Shuangshuang Wang, Di Song, Jingjing Wang, Xiali Yue and Xiufang Cao*

Investigation Of Reducing Omniscan Toxicity Using Intracellular And Targeted N-Acetylcysteine Lysine Complex

Volume:15
Hadi Hejazinia, Elham Poonaki, Mitra Elmi, Mohammad Esfandiar, Vala Vahedian Boroujeni, Artin Assadi, Seyed Esmaeil Sadat Ebrahimi, Morteza Pirali Hamedani and Mehdi Shafiee Ardestani*

New 2-Oxopyridine/2-Thiopyridine Derivatives Tethered to a Benzotriazole with Cytotoxicity on MCF7 Cell Lines and with Antiviral Activities

Volume:16
Adel M. Attia, Ahmed I. Khodair*, Eman A. Gendy, Mohammed A El-Magd and Yaseen A. M. M. Elshaier

Anti-trypanosoma Cruzi Activity and Molecular Docking Studies of 1Hpyrazolo[ 3, 4-b]Pyridine Derivatives

Volume:16
Camilo Henrique da Silva Lima, Júlio César de Araújo Vanelis Soares, Joana Lucius de Sousa Ribeiro, Estela Maris Freitas Muri, Sérgio de Albuquerque and Luiza Rosaria Sousa Dias*

Biology-Oriented Drug Synthesis (BIODS), Structural Characterization and Bioactivities of Novel Albendazole Derivatives

Volume:16
Momin Khan*, Shahid Khan, Uzma Salar, Khalid Mohammed Khan, Gauhar Rehman, Naeem Gul and Iltaf Khan

5-Nitrofuran-2-Yl Thiohydrazones as Double Antibacterial Agents Synthesis and In vitro Evaluation

Volume:16
Alexey Yu. Lukin, Tatiana S. Vedekhina and Mikhail V. Chudinov*

DNA Cleavage Properties, Antimicrobial and Cytotoxic Activity, and 4DQSAR Analysis of Some Pyrazole Derivatives

Volume:15
Semiha Kopru, Fatma Ozturk Kup, Nazmiye Sabanci, Mehmet Cadir, Duygu Cemre Bulut, Fatih Duman, Ilhan Ozer Ilhan and Emin Saripinar*

Effects of Acute and Chronic Treatment of Novel Psychotropic Drug, 8- (Trifluoromethyl)-1, 2, 3, 4, 5-Benzopentathiepin-6-Amine Hydrochloride (TC-2153), on the Behavior of Zebrafish (Danio Rerio): A Comparison with Fluoxetine

Volume:16
Alexander V. Kulikov, Nadezhda A. Sinyakova, Elizabeth A. Kulikova, Tatyana M. Khomenko, Nariman F. Salakhutdinov, Victor A. Kulikov and Konstantin P. Volcho*

Neurokinin-1 Receptor Antagonists as Anticancer Drugs

Volume:16
Miguel Muñoz* and Rafael Coveñas

Design, Synthesis and Biological Evaluation of Camptothecin Conjugated with NSAIDs as Novel Dual-actin Antitumor Agents

Volume:16
Xingchen Cai, Weiwei Huang, Yi Huang, Lihua Xia, Miao Liu, Mengke Wang, Wenchao Wang and Qingyong Li*

Nitric Oxide Synthases and Their Inhibitors: A Review

Volume:16
Anshika Mittal and Rita Kakkar*

One-Pot Synthesis of Betulin Triterpenoid Quaternized Pyridine Derivatives and Their Antimicrobial Activity

Volume:16
Elvira R. Shakurova, Darina A. Pozdnyakova, Elena V. Tretyakova and Lyudmila V. Parfenova*

Design, Synthesis and Bioactivity of Core 1 O-glycan and Its Derivative on Human Gut Microbiota

Volume:16
Huanhuan Qu*, Baixue Li, Jingyi Yang, Huaiwen Liang, Meixia Li and Kan Ding

Exploring Energy Profiles of Protein-Protein Interactions (PPIs) Using DFT Method

Volume:15
Sanket Bapat, Renu Vyas* and Muthukumarasamy Karthikeyan

The Design and Synthesis of Novel Phenothiazine Derivatives as Potential Cytotoxic Agents

Volume:16
Yepeng Luan*, Jinyi Liu, Jianjun Gao and Jinhua Wang

Novel 1,3,4-Oxadiazole Fused Thiadiazole Derivatives: Synthesis and study of Anticancer Activities

Volume:16
Zanjam Spandana, Reddymasu Sreenivasulu, T. Malathi Rekha and Mandava V Basaveswara Rao*

Synthesis of Limonin Derivatives with Improved Anti-inflammatory and Analgesic Properties

Volume:16
Chengshu Jia, Bin Hu, Yingying Ji, Yourui Su, Guoqing Gong*, Qihua Zhu and Yungen Xu*

Synthesis and Analgesic Activity of Monoterpenoid Aldehyde-Derived Hydro-2H-chromeneols

Volume:16
Irina V. Il`ina*, Ekaterina A. Morozova*, Dina V. Korсhagina, Konstantin P. Volcho, Tat`yana G. Tolstikova and Nariman F. Salakhutdinov

In-vitro and In-vivo Profiles and Characterization of Insulin Nanocarriers Based in Flexible Liposomes Designed for Oral Administration

Volume:16
Sara Melisa Arciniegas Ruiz, María Josefa Josefa Bernad Bernad, Raquel Lopez Arellano C, Roberto Diaz Torres, Sara Del Carmen Caballero Chacón and Dinorah Vargas Estrada

Synthesis, Antiproliferative, and Antioxidant Activities of Substituted N-[(1,3,4-Oxadiazol-2-Yl) Methyl] Benzamines

Volume:16
Mohamed Jawed Ahsan, Lakshya Bhandari, Shally Makkar, Rajan Singh, Mohd. Zaheen Hassan, Mohammed H. Geesi, Mohammed Afroz Bakht, Surender Singh Jadav, Tuniki Balaraju, Yassine Riadi , Sandhya Rani, Habibullah Khalilullah, Vasubabu Gorantla and Afzal Hussain

Targeting Inflammation With Conjugated Cinnamic Amides, Ethers And Esters

Volume:16
Ioannis Fotopoulos, Eleni Pontiki and Dimitra Hadjipavlou-Litina*

Benzo[d]imidazol-5-yl)-5-(substituted)-1, 3, 4-Oxadiazoles: Synthesis, Anticancer, Antimicrobial and In-silico Studies

Volume:16
Naveen Kumar, Swamy Sreenivasa*, Bhuvanesh Sukhlal Kulal, Vasantha Kumar, Bantwal Shivarama Holla, Vinitha Ramanath Pai, Nadigar Revansiddappa Mohand and Shivaraj Govindaiah

Synthesis and SAR Study of Simple Aryl Oximes and Nitrofuranyl Derivatives with Potent Activity Against Mycobacterium Tuberculosis

Volume:16
Cristiane França da Costa, Marcus Vinicius Nora de Souza*, Maria Cristina da Silva Lourenço, Elaine Soares Coimbra, Guilherme da Silva Lourenço Carvalho, James Wardell, Stephane Lima Calixto and Juliana da Trindade Granato

Baicalin-Induced Cytotoxicity and Apoptosis in Multidrug-Resistant MC3/5FU Mucoepidermoid Carcinoma Cell Line

Volume:16
Xiaofang Xu, Qihong Li, Kaitao Yu*, Ghulam Murtaza and Bin Liu

Synthesis and Antimicrobial Activity of Thiohydantoins Obtained from L-Amino Acids

Volume:16
Priscila Goes Camargo de Carvalho, Jhonatan Macedo Ribeiro, Renata Perugini Biasi Garbin, Gerson Nakazato, Sueli F. Yamada- Ogatta, Ângelo de Fátima, Marcelle L. F. Bispo and Fernando Macedo Jr*

The Structure of MT189-Tubulin Complex Provides Insights into Drug Design

Volume:16
Zhongping Li, Lingling Ma, Chengyong Wu, Tao Meng, Lanping Ma, Wenyue Zheng, Yamei Yu*, Qiang Chen*, Jinliang Yang and Jingkang Shen

Synthesis, Formulation and Analytical Method Validation of Rutin Derivative

Volume:16
Murad Abualhasan*, Mohyeddin Assali, Nidal Jaradat and Tala Sarhan

Synthesis and In vitro Biological Activity Evaluation of Novel Imidazo [2,1-B][1,3,4] Thiadiazole as Anti-alzheimer Agents

Volume:16
Sara Azimi, Omidreza Firuzi, Aida Iraji, Afsaneh Zonouzi , Mahsima Khoshneviszadeh, Mohammad Mahdavi* and Najmeh Edraki*

Action of Thioglycosides of 1,2,4-Triazoles and Imidazoles on the Oxidative Stress and Glycosidases in Mice with Molecular Docking

Volume:16
Mahmoud Balbaa*, Doaa Awad, Ahmad Abd Elaal, Shimaa Mahsoub, Mayssaa Moharram, Omayma Sadek, Nadjet Rezki, Mohamed R. Aouad, Mohamed E. I. Badawy and El Sayed H. El Ashry

Antimicrobial Activity, Antioxidant Properties and Phytochemical Screening of Aesculus Hippocastanum Mother Tincture against Food-Borne Bacteria

Volume:16
Maria Grazia Bonomo*, Caterina Cafaro, Daniela Russo, Luana Calabrone, Luigi Milella, Carmela Saturnino, Anna Capasso* and Giovanni Salzano

New Hybrids Derived from the Natural Compound (-)-Β-Pinene and Amides or Acylthioureas as Antitumor Agents

Volume:16
Shengliang Liao, Xiaoping Rao, Minggui Shen, Hongyan Si, Jie Song, Shibin Shang* and Zhanqian Song*

The Natural Products as Hydroxymethylglutaryl-Coa Reductase Inhibitors

Volume:16
Hayrettin Ozan Gulcan*, Serkan Yigitkan and Ilkay Erdogan Orhan

Scoring Ligand Efficiency: Potency, Ligand Efficiency and Product Ligand Efficiency within Big Data Landscape

Volume:16
Jaroslaw Polanski*, Anna Pedrys, Roksana Duszkiewicz and Johann Gasteiger

Progress in Synthesis and Bioactivity Evaluation of Pyrazoloquinazolines

Volume:15
Hui Zhao, Xiaoxia Hu, Yue Zhang, Chunlei Tang* and Bainian Feng*

An Environment-Friendly Synthesis of Piperonal Chalcones and Their Cytotoxic and Antioxidant Evaluation

Volume:15
Sanal Dev, Della Grace Thomas Parambi, Benncy Baby, Githa Elizabeth Mathew, Hendawy OM, Monu Joy, Shine Sudev and Bijo Mathew*

Synthesis of Pyridinyl-benzo[d]imidazole/Pyridinyl-benzo[d]thiazole Derivatives and their Yeast Glucose Uptake Activity In Vitro

Volume:15
Momin Khan*, Riaz Ahmad, Gauhar Rehman, Naeem Gul, Uzma Salar, Khalid M. Khan, Shahnaz Perveen and Sana Shah

Synthesis of Phenyl- and Pyridyl-substituted Benzyloxybenzaldehydes by Suzuki-Miyaura Coupling Reactions

Volume:16
Hedvig Bölcskei*, Andrea Német-Hanzelik, Zsófia Dubrovay, Viktor Háda and György Keglevich

Challenges in the Discovery and Optimization of mGlu2/4 Heterodimer Positive Allosteric Modulators

Volume:15
Mark G. Fulton, Matthew T. Loch, Caroline A. Cuoco, Alice L. Rodriguez, Emily Days, Paige N. Vinson, Krystian A. Kozek, C David Weaver, Anna L. Blobaum, Jeff Conn, Colleen M. Niswender and Craig W. Lindsley*

Synthesis, Antioxidant and Anti-inflammatory Activities of 5- ((styrylsulfonyl) methyl)-1,3,4-Oxadiazol / Thiadiazol-2-amine Derivatives

Volume:16
Gundala Sravya, Ummadi Nagarjuna, Venkatapuram Padmavathi, Galla Rajitha, Sakuri Chandi priya and Adivireddy Padmaja*

Design, Synthesis and Evaluation of Thiourea Derivatives as Antimicrobial and Antiviral Agents

Volume:15
Veerasamy Ravichandran*, Sivadasan Shalini, Krishnan Suresh Kumar, Harish Rajak and Ram Kishore Agrawal

Pharmacophore Modeling and Docking Studies to Investigate Potential Leads for the Development of β-Secretase APP Cleavage Enzyme-1 (BACE-1) Inhibitors

Volume:15
Richa Arya, Satya P. Gupta*, Sarvesh Paliwal, Swapnil Sharma, Kirtika Madan and Monika Chauhan

Synthesis and Anti-Tumor Activity Evaluation of Novel 7-Fluoro-4-(1- Piperazinyl) Quinolines

Volume:15
Dan Liu*, Aiqi Xue, Zhixin Liu, Yi Zhang, Penghui Peng and Haifeng Wang

Paclitaxel-Tyroserleutide Conjugates Self-assembly into Nanocarrier for Drug Delivery

Volume:15
Yongjia Liu, Leilei Shi, Bangshang Zhu*, Yue Su, Hui Li and Xinyuan Zhu

Synthesis and Biological Activity of N-(arylsulfonyl) Valine Hydrazones and Assistance of NMR Spectroscopy for Definitive 3D Structure

Volume:15
Sevil Senkardes, Esra Tatar, Ridvan Nepravishta, Dorisa Cela, Maurizio Paci, Ozlem Bingol Ozakpinar, Turgut Sekerler, Erik De Clercq, Christophe Pannecouque, S. Guniz Kucukguzel* and Ilkay Kucukguzel

Structure Based Identification of Potential Inhibitors of NS3 Protein of Zika virus

Volume:15
Md Imam Faizan, Abu Turab Naqvi , Md. Imtaiyaz Hassan, Mohd Abdullah, Ayesha Tazeen, Zoya Shafat, Malik Hisamuddin, Aftab Alam, Shahnawaz Ali, Sher Ali, Anam Farooqui, Abu Hamza, Nazish Parveen, Farah Deeba, Anwar Ahmed and Shama Parveen*

(Substituted)-benzo[b]thiophene-4-carboxamide Synthesis and Antiproliferative Activity Study

Volume:15
Chandrakant D. Pawar, Dattatraya N. Pansare and Devanand B. Shinde*

QSAR and Molecular Modeling Studies on a Series of Pyrrolidine Analogs Acting as BACE-1 Inhibitors

Volume:15
Richa Arya, Satya P. Gupta*, S. Paliwal, Seema Kesar, Achal Mishra and Y.S. Prabhakar

Caffeic Acid Phenethyl Ester Effects: In Silico Study of its Osteoimmunological Mechanisms

Volume:15
Ghulam Murtaza*, Yuhao Zhao, Xiaokun Pang, Xiaoxin Xu, Xincan Jiang, Dongbin Zhao, Yanxu Ma and Akriti Nepal

Cephalosporin Conjugated Sulfonamides: Synthesis, Characterization and Anticancer Activities

Volume:15
Mahmood Ahmed*, Rana Asif Nadeem, Muhammad Abdul Qadir and Imran Sajid

Synthesis, Anti-inflammatory, Antimicrobial Potential and Molecular Docking Studies of 4,5-Disubstituted-1,2,4-Triazole Thioacetate Derivatives

Volume:15
Muhammad Nouman Arif, Humaira Nadeem*, Rehan Zafar Paracha, Arifullah Khan, Imran Khanzada and Fawad Ali