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Novel Coronavirus (COVID-19) Outbreak: Hope and Search for Effective Therapeutic Agent Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-07-31 Saurabh Kumar
Background: Novel Coronavirus (COVID-19), respiratory diseases and a major threat to mankind is spreading at an unstoppable rate affecting almost every part of the world with Europe being the most affected continent. Originated from China in December 2019 with sequence homology similar to SARS having a high rate of mutation has created a global pandemic with no effective therapy available. Objective:
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Structure-based Drug Design Strategies in the Development of Small Molecule Inhibitors Targeting Bcl-2 Family Proteins Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-07-31 Zhe Yin, Donglin Yang, Jun Wang and Yuequan Jiang
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Synthesis of Novel 3-(4-tert-Butylphenyl)-5-Cylopropyl-4H-1,2,4-Triazole Derivatives with Antioxidative and Antimicrobial Activities Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-07-31 Nuri Yildirim
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Anticholinesterase Activity of Cinnamic Acids Derivatives: In Vitro, In Vivo Biological Evaluation, and Docking Study Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-07-31 Shahrzad Ghafary, Hamid Nadri, Mohammad Mahdavi, Alireza Moradi, Tahmineh Akbarzadeh, Mohammad Sharifzadeh, Najmeh Edraki, Farshad Homayouni Moghadam and Mohsen Amini
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Biological Evaluation and Molecular Modeling of 3,4-dihydropyrimidine- 2(1H)-one Derivatives as Cytotoxic Agents on Breast Cancer In Vitro Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-07-31 Hoda Sharifi, Ahmad Ebadi and Meysam Soleimani
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JAK/STAT3 Pathway in Human Intestinal Epithelial Cells During Trefoil Factor 3(TFF3) Mediated Cell Migration Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-07-31 Mengmeng Zhuang, Juan Le, Bo Zhu, Wenwen Zhang, Hao Yan, Pan Zhang, Ting Wang and Yong Sun
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Rational Design of Hyper-glycosylated Human Chorionic Gonadotropin Analogs (A Bioinformatics Approach) Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-07-31 Zahra Nabizadeh, Zarrin Minuchehr and Ali Akbar Shabani
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Synthesis, Docking, in silico ADMET and Pharmacological Evaluation of Some N-acetyl Pyrazole and Quinoline Conjugates Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-07-31 Nargisbano Ayyub Peerzade, Shravan Yegu Jadhav, Raghunath Bhikaji Bhosale, Amol Anantrao Kulkarni and Bhushan Dnyandeo Varpe
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Structure-based Virtual Screening Approach for the Discovery of Potent Inhibitors of Aminoglycoside 6'-N-Acetyltransferase Type Ib [AAC(6')-Ib] against K. pneumoniae Infections Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-07-31 Reaz Uddin, Bushra Siraj, Sidra Rafi, Syed Sikander Azam and Abdul Wadood
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Studies on the IC50 of Metabolically Stable 1-(3,3-diphenylpropyl)- piperidinyl Amides and Ureas as Human CCR5 Receptor Antagonists Based on QSAR Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-07-31 Yutao Zhao, Xiaoqian Liu, Jing Ouyang, Yan Wang, Shanyu Xu, Dongdong Tian and Hongzong Si
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Synthesis, Characterization, Antimicrobial, Anti-tubercular, Antioxidant Activities and Docking Simulations of Derivatives of 2-(pyridin-3-yl)-1Hbenzo[ d]imidazole and 1,3,4-Oxadiazole Analogy Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-07-31 Shipra Bhati, Vijay Kumar, Simranjeet Singh and Joginder Singh
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Lapatinib as a Dual Tyrosine Kinase Inhibitor Unexpectedly Activates Akt in MDA-MB-231 Triple-Negative Breast Cancer Cells Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-07-31 Parham Jabbarzadeh Kaboli and King-Hwa Ling
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Synthesis of Indolyl Pyrazole Scaffolds as Potential Anti-cancer Agents and their Molecular Modelling Studies Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Ganga Reddy Gaddam, Pramod Kumar Dubey and Venkata Ramana Reddy Chittireddy
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Development of Novel Glitazones as Antidiabetic Agents: Molecular Design, Synthesis, Evaluation of Glucose Uptake Activity and SAR Studies Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Mahendra Gowdru Srinivas, Prabitha Prabhakaran, Subhankar Probhat Mandal, Yuvaraj Sivamani, Pranesh Guddur and Bommenahally Ravanappa Prashantha Kumar
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Understanding the Binding Mechanism of Antagonist (AZD3293) Against BACE-1: Molecular Insights into Alzheimer’s Drug Discovery Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Sphelele Sosibo, Daniel Gyamfi Amoako, Anou Moise Somboro, Darren Delai Sun, Jane Catherine Ngila and Hezekiel Kumalo
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Enhancement Effect of Zn-Arsenazo III Complex for G-quadruplex DNA Stability of Proto-oncogene Promoter Telomeres Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Liyuan Zou, Hongbo Li, Mingbin Liu, Weihua Zhao and Suqin Wang
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Discovery of 2-aminopyridine Derivatives with Antichagasic and Antileishmanial Activity Using Phenotypic Assays Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Daiane Yukie Tezuka, Sergio de Albuquerque, Carlos Alberto Montanari and Andrei Leitão
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Synthesis, Biological Evaluation and Molecular Modeling Studies of Novel C (7) Modified Analogues of Chrysin Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Pulabala Ramesh, Vankadari Srinivasa Rao, Puchakayala Muralidhar Reddy, Katragadda Suresh Babu and Mutheneni Srinivasa Rao
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Design and Synthesis of 4(1H)-quinolone Derivatives as Autophagy Inducing Agents by Targeting ATG5 Protein Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Yifan Jia, Difei Yu, Qiuhua Huang, Xiaodong Zhang, Liqin Qiu, Rihui Cao, Runlei Du and Wenbin Liu
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Synthesis and Evaluation of α-Asaronol Esters with LDH and GABAA Receptor Modulation as Anticonvulsant Agents Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Yajun Bai, Bin Li, Jing Xie, Xufei Chen, Shu Cheng, Yujun Bai, Ying Sun, Fanggang Qin, Jing Liang, Yanrui Ding and Xiaohui Zheng
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Searching for Potential HDAC2 Inhibitors: Structure-activity Relationship Studies on Indole-based Hydroxamic Acids as an Anticancer Agent Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Ekta Shirbhate, Divya, Preeti Patel, Vijay K. Patel, Ravichandran Veerasamy, Prabodh C. Sharma and Harish Rajak
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Gingerol Derivatives as 14α-demethylase Inhibitors: Design and Development of Natural, Safe Antifungals for Immune-compromised Patients Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Sweta Sharma and Arpita Yadav
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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 Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Kancharla Suman, Jyothi Prashanth , Koya Prabhakara Rao, Madala Subramanyam, Vejendla Anuradha and Mandava Venkata Basaveswara Rao
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Mannitol Reduces Spinal Cord Edema in Rats with Acute Traumatic Spinal Cord Injury Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Chao Zhang, Anming Hu, Yingli Jing, Degang Yang and Jianjun Li
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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 Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Uttam Ashok More, Sameera Patel, Vidhi Rahevar, Malleshappa Ningappa Noolvi, Tejraj M. Aminabhavi and Shrinivas D. Joshi
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Synthesis and Evaluation of Anticonvulsant Activities of 4-Phenylpiperidin- 2-one Derivatives Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Shi-Ben Wang, Hui Liu, Guang-Yong Li, Kang Lei, Xiao-Jing Li, Zhe-Shan Quan and Xue-Kun Wang
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Synthesis, Characterization, and Molecular Docking Studies of N-Acylated Butyro and Valerolactam Derivatives with Antiproliferative and Cytotoxic Activities Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 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
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Synthesis of Spiro[cycloalkane-pyridazinones] with High Fsp3 Character Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Csilla Sepsey Für, Gergö Riszter, János Gerencsér, Áron Szigetvári, Miklós Dékány, László Hazai, György Keglevich and Hedvig Bölcskei
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Synthesis, Antibacterial Activity and Molecular Docking Studies of New Pyrazole Derivatives Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Adnan Cetin and Havva Kurt
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Novel 3-Substituted-2, 3-Dihydro-2-Thioxoquinazolin-4-(1H)-one derivative as Anticonvulsants: Synthesis, Molecular Docking and Pharmacological Screening Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Nimisha jain and Pradeep Kumar Singour
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Identification of Phosphoinositide-3 Kinases Delta and Gamma Dual Inhibitors Based on the p110δ/γ Crystal Structure Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Wen-Qing Jia , Xiao-Yan Feng, Ya-Ya Liu , Zhen-Zhen Han , Zhi Jing, Wei-Ren Xu and Xian-Chao Cheng
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Comparison in the Glucose Response of Flexible Liposomes Loaded with Insulin with the Addition of Different Surfactants in an Experimental Diabetes Model Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 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
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Design, Synthesis, and Anticancer Potential of the Enzyme (PARP-1) Inhibitor with Computational Studies of New Triazole, Thiazolidinone, - Thieno [2, 3-d] Pyrimidinones Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Ameen Ali Abu-Hashem, Khadiga Mohamed Abu-Zied, Magdi Elsayed AbdelSalam Zaki, Mohamed Fathy El-Shehry , Hanem Mohamed Awad and Mohammed Abdou Khedr
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Insights into Biophysical Methods to Study Interactions Between HIV-1 Reverse Transcriptase and Non-nucleoside Reverse Transcriptase Inhibitors Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-31 Julien Dumond, Jean-Marcel Julien Tronchet, Serge Kirkiacharian, Michel Seman and Michèle Reboud-Ravaux
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Bimetallic Catalyzed N-arylation Used in Synthesis of Novel β-carbolines Derivatives Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-01 Rui Cai , Li Zhu, Pengfei Wang and Yu Zhao
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Design, Synthesis and Antifungal Activity of Novel 1-(Adamantan-1-yl) ethanone Oxime Esters Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-01 Si Liu, Li-Zhi Niu, Yan-Hua Shi, Fu-Xian Wan and Lin Jiang
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Virtual Screening and In Silico Simulation Analysis for Rapid and Efficient Identification of Novel Natural GPR40 Agonist Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-01 Virendra Nath, Rohini Ahuja and Vipin Kumar
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Diversified Thiazole Substituted Coumarins and Chromones as Non- Cytotoxic ROS and NO Inhibitors Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-01 Uzma Salar, Khalid Mohammed Khan, Almas Jabeen, Shafquat Hussain, Aisha Faheem, Farwa Naqvi and Shahnaz Perveen
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Caffeic Acid Phenethyl Ester Effects: In Silico Study of its Osteoimmunological Mechanisms Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-01 Yuhao Zhao, Xiaokun Pang, Akriti Nepal, Xincan Jiang, Xiaoxin Xu, Dongbin Zhao, Ghulam Murtaza and Yanxu Ma
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(Substituted)-benzo[b]thiophene-4-carboxamide Synthesis and Antiproliferative Activity Study Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-01 Chandrakant Dhondiram Pawar, Dattatraya Navnath Pansare and Devanand Baburao Shinde
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Synthesis, In vitro and In silico Evaluation of a Series of Pyrazolines as New Anticholinesterase Agents Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-01 Mehlika Dilek Altıntop
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Design of New Therapeutic Agents Targeting FLT3 Receptor Tyrosine Kinase Using Molecular Docking and 3D-QSAR Approach Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-01 Swapnil Pandurang Bhujbal, Seketoulie Keretsu and Seung Joo Cho
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Uses of Cyclohexan-1,3-dione for the Synthesis of Thiazole, Pyrazole, Thiophene, Isoxazole and Pyran Derivatives with Antitumor Activities Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-01 Rafat Milad Mohareb, Nadia Youssef Megally Abdo and Waleed Nabeel Al-darkazali
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Synthesis and In Vitro Biological Activity Evaluation of Novel Imidazo [2,1-B][1,3,4] Thiadiazole as Anti-Alzheimer Agents Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-01 Sara Azimi, Omidreza Firuzi, Aida Iraji, Afsaneh Zonouzi , Mahsima Khoshneviszadeh, Mohammad Mahdavi and Najmeh Edraki
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Docking and 3D-QSAR Studies of Hydrazone and Triazole Derivatives for Selective Inhibition of GRK2 over ROCK2 Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-01 Seketoulie Keretsu, Swapnil Pandurang Bhujbal and Seung Joo Cho
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Microwave-assisted Synthesis and Docking Studies of Phenylureas as Candidates for the Drug Design Against the Biological Warfare Agent Yersinia Pestis Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-01 Tanos Celmar Costa França, Leonardo da Costa Bastos, Teobaldo Cuya, Mehdi Sirouspour, Franklin Chacón-Huete, David Bendahan and Pat Forgione
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Cytotoxic Activity and DNA Binding Property of New Aminopyrimidine Derivatives Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-01 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
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Lead Molecules as Novel Aromatase Inhibitors: In Silico De Novo Designing and Binding Affinity Studies Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-01 Laxmi Banjare, Sant Kumar Verma, Akhlesh Kumar Jain and Suresh Thareja
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Azacyanines as Novel Topoisomerase II Alpha Inhibitors Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-05-01 Sercan Guloglu, Fahriye Nur Kirmaci, Özgül Persil Çetinkol, Mehrdad Forough and Aybuke Gulkaya
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