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Letters in Drug Design & Discovery

Volume 17, 12 Issues, 2020
ISSN: 1875-628X (Online)
ISSN: 1570-1808 (Print)
This journal supports open access

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    Chemistry, Medicinal

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Aims & Scope

Letters in Drug Design & Discovery publishes letters, full-length/mini-reviews, highlights and guest edited thematic issues in all areas of rational drug design and discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. The emphasis is on publishing quality papers very rapidly by taking full advantage of latest Internet technology for both submission and review of manuscripts. The online journal is an essential reading to all pharmaceutical scientists involved in research in drug design and discovery.

Letters in Drug Design & Discovery

,

Volume 17

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Number 1



Biography   Open Access



Preface   Open Access



Research Article



Research Article

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

, 17(1): 12 - 20

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


DOI: 10.2174/1570180816666181227115738


Research Article

Melatonin Ameliorates Radiation-induced Sciatic Nerve Injury

, 17(1): 21 - 30

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


DOI: 10.2174/1570180816666190617160434


Research Article



Research Article

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

, 17(1): 48 - 56

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


DOI: 10.2174/1570180816666181108114115


Research Article



Letters in Drug Design & Discovery, Volume 17 (2020) - Number 2


This issue is in progress but contains articles that are final and fully citable.

Articles Ahead of Print

Synthesis, Molecular Docking and α-Glucosidase Inhibitory Activity Study of 2,4,6-triaryl pyrimidine Derivatives


Mohammed Hussen Bule , Roghaieh Esfandyari, Tadesse Bekele Tafesse, Mohsen Amini*, Mohammad Ali Faramarzi and Mohammad Abdollahi


DOI: 10.2174/1570180817666200103130536
View Abstract





Synthesis and Evaluation of α-Asaronol Esters with LDH and GABAA Receptor Modulation as Anticonvulsant Agents


Yajun Bai, Bin Li, Jing Xie, Xufei Chen, Shu Cheng, Yujun Bai, Ying Sun, Fanggang Qin, Jing Liang, Yanrui Ding and Xiaohui Zheng*


DOI: 10.2174/1570180816666191204104127
View Abstract




Design and Synthesis of 4(1H)-quinolone Derivatives as Autophagy Inducing Agents by Targeting ATG5 Protein


Yifan Jia, Difei Yu, Qiuhua Huang, Xiaodong Zhang, Liqin Qiu, Rihui Cao*, Runlei Du and Wenbin Liu


DOI: 10.2174/1570180816666191122113045
View Abstract


Understanding the Binding Mechanism of Anti-antagonist (AZD3293) Against BACE-1: Molecular Insights into Alzheimer’s Drug Discovery


Sphelele Sosibo, Daniel Gyamfi Amoako, Anou Moise Somboro, Darren Delai Sun, Jane Catherine Ngila and Hezekiel Kumalo*


DOI: 10.2174/1570180816666191029142640
View Abstract



Abstracts Ahead of Print



Anticholinesterase activity of cinnamic acids derivatives: in-vitro, in-vivo biological evaluation and docking study


Shahrzad Ghafary, Hamid Nadri, Mohammad Mahdavi, Alireza Moradi, Tahmineh Akbarzadeh, Mohammad Sharifzadeh, Najmeh Edraki, Farshad Homayouni Moghadam and Mohsen Amini*


DOI: 10.2174/1570180817666191224094049
View Abstract


Published Contents

Editor's Choice

Targeting Inflammation with Conjugated Cinnamic Amides, Ethers and Esters

, 2020; 17(1): 3 - 11

Ioannis Fotopoulos, Eleni Pontiki and Dimitra Hadjipavlou Litina*


DOI: 10.2174/1570180816666181129125511




Molecular Modeling of an Orphan GPR18 Receptor

, 2019; 16(10): 1167 - 1174

Kamil J. Kuder, Tadeusz Karcz, Maria Kaleta and Katarzyna Kiec-Kononowicz*


DOI: 10.2174/1570180815666180810114847



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

, 2019; 16(9): 1069 - 1073

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


DOI: 10.2174/1570180816666181122122655



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

, 2019; 16(8): 882 - 891

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


DOI: 10.2174/1570180815666180803124625





Potential of Nanoparticles in Combating Candida Infections

, 2019; 16(5): 478 - 491

Faizan Abul Qais, Mohd Sajjad Ahmad Khan, Iqbal Ahmad* and Abdullah Safar Althubiani


DOI: 10.2174/1570180815666181015145224





Open Access Articles

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

, 2019; 16(12): 1387 - 1394

Mark Gallant Fulton, Matthew Thomas Loch, Caroline Anne Cuoco, Alice Lambert Rodriguez, Emily Days, Paige Newton Vinson, Krystian Andrezej Kozek, Charles David Weaver, Anna Louise Blobaum, Peter Jeffrey Conn, Colleen Marie Niswender* and Craig William Lindsley*




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

, 2019; 16(11): 1296 - 1301

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




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

, 2019; 16(11): 1248 - 1257

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





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

, 2019; 16(9): 994 - 1005

Naveen Kumar, Swamy Sreenivasa*, Bhuvanesh Sukhlal Kalal, Vasantha Kumar, Bantwal Shivarama Holla, Vinitha Ramanath Pai, Nadigar Revansiddappa Mohan and Shivaraj Govindaiah




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

, 2019; 16(9): 1069 - 1073

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






In Vitro and In Vivo Profiles and Characterization of Insulin Nanocarriers Based in Flexible Liposomes Designed for Oral Administration

, 2019; 16(8): 948 - 960

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





Design and Synthesis of Novel Thiosemicarbazones as Potent Anti-breast Cancer Agents

, 2019; 16(4): 446 - 452

Mashooq Ahmad Bhat*, M. Al-Tahhan, Mohamed A. Al-Omar, Ahmed M. Naglah and Abdullah Al-Dhfyan




A Study on the Synthesis of Risedronic Acid: The Role of an Ionic Liquid Additive

, 2019; 16(3): 238 - 244

Dávid Illés Nagy, Alajos Grün, Júlia Sinkovicz, Sándor Garadnay, István Greiner and György Keglevich*




Synthesis and Biological Evaluation of Some Novel Thiophene-bearing Quinazoline Derivatives as EGFR Inhibitors

, 2019; 16(2): 102 - 110

Min Zou, Bo Jin, Yanrong Liu, Huiping Chen, Zhuangli Zhang, Changzheng Zhang, Zhihong Zhao and Liyun Zheng*




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

, 2019; 16: 1 - 11 (E-Pub Ahead of Print)

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




Efficient Synthesis of Ibandronate in the Presence of an Ionic Liquid

, 2018; 15(7): 713 - 720

David Illes Nagy, Alajos Grun, Oliver Pavela, Sandor Garadnay, Istvan Greiner and Gyorgy Keglevich*





Most Cited Articles

Research Article

Novel trifluoromethylpyrazole acyl thiourea derivatives: Synthesis, antifungal activity and docking study

, 2019; 16(7): 785-791.

Han Wang, Zhi-Wen Zhai, Yan-Xia Shi, Cheng-Xia Tan, Jian-Quan Weng, Liang Han, Bao-Ju Li and Xing-Hai Liu*


DOI: 10.2174/1570180815666180704103047



Research Article

Evaluation of the in vitro antitumor activity of nanostructured cyclotides in polymers of Eudragit<sup>®</sup> L 100-55 and RS 30 D

, 2019; 16(4): 437-445.

Osmar N. Silva, Michelle F.S. Pinto, Juliane F.C. Viana, Camila G. Freitas, Isabel C.M. Fensterseifer, David J. Craik and Octavio L. Franco*


DOI: 10.2174/1570180815666180801115526


Research Article

Novel 1,3,4-oxadiazole fused thiadiazole derivatives: Synthesis and study of anticancer activities

, 2019; 16(6): 656-662.

Zanjam Spandana, Reddymasu Sreenivasulu, Tadigiri MalathiRekha and Mandava Venkata Basaveswara Rao*


DOI: 10.2174/1570180816666181031125946


Research Article

Synthesis, anti-proliferative evaluation, and molecular docking studies of 3-(Alkylthio)-5,6-diaryl-1,2,4-triazines as tubulin polymerization inhibitors

, 2019; 16(11): 1194-1201.

Farhad Saravani, Ebrahim Saeedian Moghadam, Hafezeh Salehabadi, Seyednasser Ostad, Morteza Pirali Hamedani, Massoud Amanlou, Mohammad Ali Faramarzi and Mohsen Amini*


DOI: 10.2174/1570180815666180727114216


Research Article

A study on the synthesis of risedronic acid: The role of an ionic liquid additive

, 2019; 16(3): 238-244.

Dávid Illés Nagy, Alajos Grün, Júlia Sinkovicz, Sándor Garadnay, István Greiner and György Keglevich*


DOI: 10.2174/1570180815666180626122630


Research Article

Scoring ligand efficiency: Potency, ligand efficiency and product ligand efficiency within big data landscape

, 2019; 16(11): 1258-1263.

Jaroslaw Polanski*, Anna Pedrys, Roksana Duszkiewicz and Johann Gasteiger


DOI: 10.2174/1570180816666190112154505




General Research Article

The development of tyrosyl-DNA phosphodyesterase 1 (TDP1) inhibitors based on the amines combining aromatic/heteroaromatic and monoterpenoid moieties

, 2019; 16(5): 597-605.

Evgenii Mozhaitsev, Evgenii Suslov*, Yuliya Demidova, Dina Korchagina, Konstantin Volcho, Alexandra Zakharenko, Inna Vasil'eva, Maksim Kupryushkin, Arina Chepanova, Daniel Moscoh Ayine-Tora, Jóhannes Reynisson, Nariman Salakhutdinov and Olga Lavrik


DOI: 10.2174/1570180816666181220121042


Research Article

Design, synthesis and cytotoxicity of novel coumarin-1,2,3-triazole-1,2,4-oxadiazole hybrids as potent anti-breast cancer agents

, 2019; 16(7): 818-824.

Maryam Mohammadi-Khanaposhtani, Kiana Fahimi, Elahe Karimpour-Razkenari, Maliheh Safavi, Mohammad Mahdavi, Mina Saeedi and Tahmineh Akbarzadeh*


DOI: 10.2174/1570180815666180627121006


Research Article

Synthesis, structure elucidation and biological activities of some novel 4(3h)-quinazolinones as anti-biofilm agents

, 2019; 16(3): 313-321.

Sevda Türk, Sevgi Karakuş*, Abdulilah Ece, Seyhan Ulusoy and Gülgün Bosgelmez-Tınaz


DOI: 10.2174/1570180815666180621101123


Research Article

Assessing the antimalarial potentials of phytochemicals: Virtual screening, molecular dynamics and in-vitro investigations

, 2019; 16(3): 291-300.

Saumya K. Patel, Mohd Athar, Prakash C. Jha*, Vijay M. Khedkar, Yogesh Jasrai, Himanshu A. Pandya, Linz-buoy George, Hyacinth Highland and Supriya Sharma


DOI: 10.2174/1570180815666180604085626


Research Article

Cytotoxicity and molecular targeting study of novel 2-chloro-3-substituted quinoline derivatives as antitumor agents

, 2019; 16(3): 273-283.

Mohammed A.M. Massoud*, Magda A. El-Sayed, Waleed A. Bayoumi and Basem Mansour


DOI: 10.2174/1570180815666180604090924




Most Accessed Articles

Design, Synthesis and Anti Colon Cancer Activity Evaluation of Phosphorylated Derivatives of Lamivudine (3TC)

, 2011; 8(1): 59-64.

Valasani Koteswara Rao, Sanapalli S. Reddy, Balam S. Krishna, Cirandur S. Reddy, Nimmanapalli P. Reddy, Tamatam C.M. Reddy, Chamarthi N. Raju and S. K. Ghosh


DOI: 10.2174/157018011793663921


Synthesis and Antimicrobial Activity of Adamantyl Substituted Pyridoxine Derivatives

, 2019; 16(12): 1360-1369.

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 , Evgenii Sokolovich, Petr Yablonskiy, Konstantin Balakin and Yurii Shtyrlin*


DOI: 10.2174/1570180816666190911150705


Identification of New Inhibitors of Mutant Isocitrate Dehydrogenase 2 through Molecular Similarity-based Virtual Screening

, 2019; 16(8): 861-867.

Lijun Yang, Stefan Pusch, Victoria Jennings, Tianfang Ma, Qihua Zhu, Yungen Xu, Andreas von Deimling* and Xiaoming Zha*


DOI: 10.2174/1570180815666180808094432


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

, 2019; 16(11): 1248-1257.

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


DOI: 10.2174/1570180816666181106123809


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

, 2019; 16(8): 882-891.

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


DOI: 10.2174/1570180815666180803124625




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

, 2019; 16(11): 1233-1247.

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


DOI: 10.2174/1570180816666181102114529


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

, 2019; 16(9): 994-1005.

Naveen Kumar, Swamy Sreenivasa*, Bhuvanesh Sukhlal Kalal, Vasantha Kumar, Bantwal Shivarama Holla, Vinitha Ramanath Pai, Nadigar Revansiddappa Mohan and Shivaraj Govindaiah


DOI: 10.2174/1570180816666181220123924




Editor-in-Chief

K. Kuca
University of Hradec Kralove
Hradec Kralove
Czech Republic

Biography View Full Editorial Board

Journal History

Letters in Drug Design & Discovery was introduced in 2004. Dr. Kamil Kuca serves as the Editor-in-Chief of the journal.
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Scopus CiteScore Metrics: 1.02

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