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

Molecular Docking of 4-ehoxychalcones on Oxidoreductase/Pirin Inhibitors and Cytotoxic Evaluation on Breast/Skin Cancer Cell Lines

Volume:17
Kishori Ramachandra Harshitha, Balladka Kunhanna Sarojini*, Badiadka Narayana, Anupam Glorious Lobo and Bhuvanesh Sukhlal Kalal

Design, Synthesis, and Anticancer Potential of the Enzyme (PARP-1) Inhibitor with Computational Studies of New Triazole, Thiazolidinone, - Thieno [2, 3-d] Pyrimidinones

Volume:17
Ameen A. Abu-Hashem*, Mohammed A. Khedr, Khadiga M. Abu-Zied, Magdi E.A. Zaki, Mohamed F. El-Shehry and Hanem M. Awad

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

Volume:17
Mohammed Hussen Bule , Roghaieh Esfandyari, Tadesse Bekele Tafesse, Mohsen Amini*, Mohammad Ali Faramarzi and Mohammad Abdollahi

Searching for Potential HDAC2 Inhibitors: Structure-activity Relationship Studies on Indole-based Hydroxamic Acids as an Anticancer Agent

Volume:17
Ekta Shirbhate, Divya, Preeti Patel, Vijay K. Patel, Ravichandran Veerasamy, Prabodh C. Sharma and Harish Rajak*

Synthesis, Biological Evaluation and Molecular Modeling Studies of Novel C (7) Modified Analogues of Chrysin

Volume:16
P. Ramesh, V. Srinivasa Rao, P. Muralidhar Reddy*, K. Suresh Babu and M. Srinivasa Rao

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

Volume:16
Yajun Bai, Bin Li, Jing Xie, Xufei Chen, Shu Cheng, Yujun Bai, Ying Sun, Fanggang Qin, Jing Liang, Yanrui Ding and Xiaohui Zheng*

Enhancement Effect of Zn-Arsenazo III Complex for G-quadruplex DNA Stability of Proto-oncogene Promoter Telomeres

Volume:16
Liyuan Zou, Hongbo Li*, Mingbin Liu, Weihua Zhao and Suqin Wang*

Discovery of 2-aminopyridine Derivatives with Antichagasic and Antileishmanial Activity Using Phenotypic Assays

Volume:16
Daiane Yukie Tezuka, Sergio de Albuquerque, Carlos Alberto Montanari and Andrei Leitão*

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

Volume:16
Yifan Jia, Difei Yu, Qiuhua Huang, Xiaodong Zhang, Liqin Qiu, Rihui Cao*, Runlei Du and Wenbin Liu

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

Volume:16
Sphelele Sosibo, Daniel Gyamfi Amoako, Anou Moise Somboro, Darren Delai Sun, Jane Catherine Ngila and Hezekiel Kumalo*

Development of Novel Glitazones as Antidiabetic Agents: Molecular Design, Synthesis, Evaluation of Glucose Uptake Activity and SAR Studies

Volume:16
G. S Mahendra, P Prabitha , Subhankar P. Mandal, S Yuvaraj , Pranesh Guddur and B. R. Prashantha Kumar*

In Silico Elucidation of the Molecular Recognition of Phenol Derivative Compounds and Hippuryl-Histidyl-Leucine as an Artificial Substrate with the Experimental Target: Angiotensin-Converting Enzyme

Volume:16
Víctor H. Vázquez-Valaldez*, Manuel Alejandro HernándezS, Ivonne Carrillo C, Ana María VelázquezS, Mildred SauceG, Rafael López Castañares and E. Ángeles

Comparison in the Glucose Response of Flexible Liposomes Loaded with Insulin with the Addition of Different Surfactants in an Experimental Diabetes Model

Volume:16
Sara Melisa Arciniegas , Sergio Andres Saavedra , Danaé Balderas , Sara del Carmen Caballero, María Josefa Bernad, Julio Cesar Sánchez , María Isabel Gracia, Héctor Ariel Rico and Dinorah Vargas *

Identification of Phosphoinositide-3 Kinases Delta and Gamma Dual Inhibitors Based on the p110δ/γ Crystal Structure

Volume:16
Wen-Qing Jia , Xiao-Yan Feng, Ya-Ya Liu , Zhen-Zhen Han , Zhi Jing, Wei-Ren Xu and Xian-Chao Cheng*

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

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*

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

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*

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

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*

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*

(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