Letters in Drug Design & Discovery

Editor-in-Chief
K. Kuca
University of Hradec Kralove
Hradec Kralove
Czech Republic

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Articles Ahead of Print

Tyrosinase Inhibitory Activity of S-Naproxen Derivatives

Volume:16
Ghulam Mohiuddin, Khalid Mohammed Khan*, Uzma Salar, Kanwal, Muhammad Arif Lodhi, Farida Begum and Shahnaz Perveen

Antitumor Activity of Cyclodextrin-based Supramolecular Platinum Prodrug In vitro and In vivo

Volume:16
Yu-Hui Zhang, Jie Wang, Siqintana Xin, Li-Juan Wang and Xianliang Sheng*

Insights into Biophysical Methods to Study Interactions Between HIV-1 Reverse Transcriptase and Non-Nucleoside Reverse Transcriptase Inhibitors

Volume:16
Julien Dumond, Jean-Marcel J. Tronchet, Serge Kirkiacharian, Michel Seman and Michèle Reboud-Ravaux*

Facile Synthesis of 6-Phenyl-6h-chromeno [4, 3-b] Quinoline Derivatives using NaHSO4@SiO2 Re-usable Catalyst and Their Antibacterial Activity Study Correlated by Molecular Docking Studies

Volume:16
Kancharla Sumana, Jyothi Prashanth , Koya Prabhakara Rao*, Madala Subramanyam, Vejendla Anuradha and Mandava Venkata Basaveswara Rao

Synthesis and Antimicrobial Activity of Adamantyl Substituted Pyridoxine Derivatives

Volume:16
Rail Khaziev, Nikita Shtyrlin, Roman Pavelyev, Raushan Nigmatullin, Raylya Gabbasova, Denis Grishaev, Anna Shtro, Anastasia Galochkina , Yulia Nikolaeva , Tatiana Vinogradova , Olga Manicheva, Marine Dogonadze, Oleg Gnezdilov , Evgeny Sokolovich, Peter Yablonskiy, Konstantin Balakin and Yurii Shtyrlin*

In Silico ADME and QSAR Studies on a Set of Coumarin Derivatives As Acetylcholinesterase Inhibitors Against Alzheimer’s Disease: CoMFA, CoMSIA, Topomer CoMFA, and HQSAR

Volume:16
Uttam A. More*, Sameera Patel, Vidhi Rahevar, Malleshappa N. Noolvi, Tejraj M. Aminabhavi and Shrinivas D. Joshi

Synthesis and Cytotoxicity of New Mannich Bases of 6-[3-(3,4,5-Trimetoxyphenyl)-2- propenoyl]-2(3H)-Benzoxazolone

Volume:16
Yordanka Ivanova*, Mariana Gerova, Georgi Momekov and Ognyan Petrov

New Hydrazone Derivatives of Pyrazole-4-carboxaldehydes Exhibited Anti-inflammatory Properties

Volume:16
Mingxia Song, Xianqing Deng*, Bing Liu, Shengwang Yu, Shihui He, Yuqiu Liang, Sifan Li and Qiuyan Chen

Mannitol Reduces Spinal Cord Edema in Rats with Acute Traumatic Spinal Cord Injury

Volume:16
Chao Zhang, Anming Hu, Yingli Jing, Degang Yang* and Jianjun Li

Synthesis, In Silico and In Vivo Evaluation of Novel 1, 3, 4-Thiadiazole Analogues as Novel Anticancer Agents

Volume:16
Byran Gowramma*, Swathi Krishna, Manal Mohammed, Thaggikuppe K Praveen, Rajagopal Kalirajan and L Kaviarasan

Microwave-assisted Synthesis and Docking Studies of Phenylureas as Candidates for the Drug Design Against the Biological Warfare Agent Yersinia Pestis

Volume:16
Tanos Celmar Costa França*, Leonardo da Costa Bastos, Teobaldo Cuya, Mehdi Sirouspour, Franklin Chacón-Huete, David Bendahan and Pat Forgione

Synthesis of Spiro[cycloalkane-pyridazinones] with High Fsp3 Character

Volume:16
Csilla Sepsey Für, Gergő Riszter, János Gerencsér, Áron Szigetvári, Miklós Dékány, László Hazai, György Keglevich and Hedvig Bölcskei*

Melatonin Ameliorates Radiation-induced Sciatic Nerve Injury

Volume:16
Dheyauldeen Shabeeb, Ahmed Eleojo Musa, Mansoor Keshavarz, Gholamreza Hassanzadeh, Mohammed Reza Hadian, Azin Nowrouzi, Alireza Shirazi* and Masoud Najafi

Synthesis, Characterization, and Molecular Docking Studies of N-Acylated Butyro and Valerolactam Derivatives with Antiproliferative and Cytotoxic Activities

Volume:16
Mark Tristan J. Quimque, Mark John P. Mandigma, Justin Allen K. Lim, Simon Budde, Hans-Martin Dahse, Oliver B. Villaflores, Arnold V. Hallare and Allan Patrick G. Macabeo*

Lead Molecules as Novel Aromatase Inhibitors: In Silico De Novo Designing and Binding Affinity Studies

Volume:16
Laxmi Banjare, Sant Kumar Verma, Akhlesh Kumar Jain and Suresh Thareja

Cytotoxic Activity and DNA Binding Property of New Aminopyrimidine Derivatives

Volume:16
Hamidreza Akrami, Bibi Fatemeh Mirjalili, Omidreza Firuzi, Azadeh Hekmat, Ali Akbar Saboury, Ramin Miri, Omid Sabzevari, Morteza Pirali-Hamedani, Fereshteh Jeivad, Setareh Moghimi, Saeed Emami, Alireza Foroumadi* and Mehdi Khoobi*

Synthesis and Evaluation of Anticonvulsant Activities of 4- Phenylpiperidin-2-one Derivatives

Volume:16
Shi-Ben Wang*, Hui Liu, Guang-Yong Li, Kang Lei, Xiao-Jing Li, Zhe-Shan Quan and Xue-Kun Wang*

Azacyanines as Novel Topoisomerase II Alpha Inhibitors

Volume:16
Sercan Guloglu, Fahriye Nur Kirmaci, Ozgul Persil Cetinkol*, Mehrdad Forough and Aybuke Gulkaya

Diversified Thiazole Substituted Coumarins and Chromones as Non- Cytotoxic ROS and NO Inhibitors

Volume:16
Uzma Salar, Khalid Mohammed Khan*, Almas Jabeen, Shafquat Hussain, Aisha Faheem, Farwa Naqvi and Shahnaz Perveen

In vitro and In Vivo Evaluation of Quinoxaline 1,4-di-N-oxide Against Giardia lamblia

Volume:16
Elizabeth Barboza-Cabrera, Rosa Moo-Puc, Antonio Monge, Alma D. Paz-Gonzalez, Virgilio Bocanegra-Garc and Gildardo Rivera*

Phage Display as A Bio-Technique for Cancer Immunotherapy

Volume:16
Shirin Mahmoodi, Navid Nezafat* and Younes Ghasemi*

Evaluating Radioprotection of Rat’s Jejunum by A Combination of Melatonin and Metformin

Volume:16
Nasim Ahmadi Azar, Abdolreza Javadi, Masoud Najafi*, Alireza Shirazi*, Elham Tajabadi, Dheyauldeen Shabeeb and Ahmed Eleojo Musa

Synthesis of Piperidine Conjugated Dihydroquinazolin-4(1H)-ones and their Antiproliferative Activity, Molecular Docking Studies and DFT Calculations

Volume:16
Kereyagalahally H. Narasimhamurthy, Chandra, Toreshettahally R. Swaroop, Swamy Jagadish and Kanchugarakoppal S. Rangappa*

Identifying the Structural Features of Diphenyl Ether Analogues for InhA Inhibition: A 2D and 3D QSAR Based Study

Volume:16
Ashutosh Prasad Tiwari, Varadaraj Bhat G.*, G. Gautham Shenoy and Vandana K E

Antiglycation Activity of N, N-Diethylthiobarbiturates Derivatives

Volume:16
Momin Khan*, Ghulam Ahad, Ajmal Khan, Uzma Salar, Sana Shah, Syed Muhammad Salman, Kanwal, Syed Muhammad Salman and Khalid Mohammed Khan*

Synthesis of New 4-Chloro-6-Methylpyrimidin-2-yl-Aminophosphonates as Potential DU145 and A549 Cancer Cell Inhibitors

Volume:16
Gajjala Raghavendra Reddy, Chinta Raveendra Reddy, Gopireddy Venkata Subba Reddy, Pasupuleti Visweswara Rao, Meenakshisundaram Swaminathan and Cirandur Suresh Reddy*

Carbon Nanotubes Enhance the Chemotherapy Sensitivity of Tumors with Multidrug Resistance

Volume:16
Zhijie Wang, Jinhua Tao, Jianan Chen and Qian Liu*

Synthesis And Herbicidal ActivitiesOf Novel Thiazole PPO Inhibitors

Volume:16
Guihua Ren, Dan Pei, Fan Zhang, Jie Liu, Shu Chen, Donglin Zhang, Ren Yang, Jianjun Shi, Tianming Xu and Chengxia Tan*

Studies on the pIC50 of 4,5-Diarylisoxazole as HSP90 Inhibitors

Volume:16
Jing Ouyang, Xiaoqian Liu, Yutao Zhao, Ying Liu, Hongzong Si* and Honglin Zhai

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*

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*

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*

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*

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

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

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

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

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*

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*

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*

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*

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 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*

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

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

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