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Synthesis and Evaluation of Substituted Aryl Thiazoles With Antioxidant Potential as Gastro-sparing Anti-inflammatory Agents Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-11-30 Akhil Bansal, Alka Bali and Ajitesh Balaini
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Development of Schiff bases from Amikacin: Synthesis, Antibacterial, Anti-urease Activities and Molecular Docking Studies Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-11-30 Shabana Anwar, Mohsin Abbas Khan, Irshad Ahmed, Irfan Pervaiz and Hamid Saeed Shah
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Design, Synthesis and Biological Evaluation: 5-amino-1H-pyrazole-1- carbonyl derivatives as FGFR Inhibitors Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-10-31 Yan Zhang and Niefang Yu
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Design, Synthesis, Docking and Computational Pharmacokinetic Profiling of New Pyrazolinyl Thiazolinone Biheterocycles as Potent Antimicrobial Agents Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-10-31 Vinutha Vittala Salian, Badiadka Narayana, Balladka Kunhanna Sarojini, Sharath Chandra Kodandoor and Anupam Glorious Lobo
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Evaluating Phenyl Propanoids Isolated from Citrus medica as Potential Inhibitors for Mitotic kinesin Eg5 Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-10-31 Himesh Makala, Venkatasubramanian Ulaganathan, Aravind Sivasubramanian, Narendran Rajendran and Shankar Subramanian
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QSAR Studies of Sulfonamide Hydroxamates Derivatives as MMP-2 Inhibitors Topomer CoMFA and Molecular Docking Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-10-31 Jian-Bo Tong, Feng Yi, Ding Luo and Tian-Hao Wang
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Synthesis, Characterization and Antimicrobial Activity of Some Novel 1- substituted Benzimidazole Derivatives Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-10-31 Erkut Isik, Demet Astley, Seda Yuksekdanaci and Ihsan Yasa
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Design, Synthesis, In vitro and In silico Evaluation of New Hydrazonebased Antitumor Agents as Potent Akt Inhibitors Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-10-31 Emine Merve Güngör, Mehlika Dilek Altıntop, Belgin Sever and Gülşen Akalın Çiftçi
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Computational Analysis of Dynamical Fluctuations of Oncoprotein E7 (HPV 16) for the Hot Spot Residue Identification Using Elastic Network Model Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-10-31 Rabbiah Malik, Sahar Fazal and Mohammad Amjad Kamal
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Evaluation of Kaempferol as AKT Dependent mTOR Regulator via Targeting FKBP-12 in Hepatocellular Carcinoma: An In silico Approach Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-10-31 Pooja Siniprasad, Bhagyalakshmi Nair, Vaisali Balasubramaniam, Prashanth Sadanandan, Puliyapally Krishnan Namboori and Lekshmi Reghu Nath
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Synthesis and Evaluation of Dapagliflozin Ester Prodrugs with Improved Hygroscopicity and Thermal Stability Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-10-31 Si Young Sung, Yu Na Chae, Dae Young Lee, Kyeong Min Kim, Eun Jung Kim, Ji Hye Han, Wook Kim and Sung-Hwa Yoon
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Comparative Proteome Analysis of Mycobacterium Tuberculosis Strains - H37Ra, H37Rv, CCDC5180, and CAS/NITR204: A Step Forward to Identify Novel Drug Targets Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-10-31 Shradheya R.R. Gupta, Ekta Gupta, Avnam Ohri, Sandeep Kumar Shrivastava, Sumita Kachhwaha, Vinay Sharma, Rupesh Kumar Mishra and Ravi Ranjan Kumar Niraj
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Novel 2-(5-Aryl)thiophen-2-yl)benzimidazoles; Design, Synthesis and In vitro Evaluation Against Cercarial Phase of Schistosoma mansoni Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-10-31 Serry Atta El Bialy, Basem Mansour, Waleed Abdelhakeem Bayoumi, Amira Taman and Hassan Mohammed Eissa
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High Anti-cancer Activity, Low Animal Toxicity, and Structure Activity Relationships of Curcumin Analogs Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-10-31 Sen-Chuan Song, Yu-Liang Mai, Hua-Hong Shi, Bing Liao and Fei Wang
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Anti-inflammatory Augmentation Therapy in Obsessive-compulsive Disorder: A Review Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-09-30 Hanie Ghasemi, Homa Nomani, Amirhossein Sahebkar and Amir Hooshang Mohammadpour
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Novel Benzimidazole Derivatives: Cytotoxic and Apoptotic Properties on Lung Cancer Cell Line Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-09-30 Leyla Yurttaş, Gülşen Akalin Çiftçi, Mehmet Onur Aksoy and Şeref Demirayak
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Effect of Cabergoline on Cognitive Impairments in Transgenic Drosophila Model of Parkinson’s Disease Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-09-30 Yasir Hasan Siddique, Rahul, Mantasha Idrisi and Mohd. Shahid
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Design, Synthesis and Biological Evaluation of Dimethyl Cardamonin (DMC) Derivatives as P-glycoprotein-mediated Multidrug Resistance Reversal Agents Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-09-30 Ximeng Shi, Yuyu Zhao, Licheng Zhou, Huanhuan Yin, Jianwen Liu and Lei Ma
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Aminoalkylated Phenolic Chalcones: Investigation of Biological Effects on Acetylcholinesterase and Carbonic Anhydrase I and II as Potential Lead Enzyme Inhibitors Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-09-30 Cem Yamali, Halise Inci Gul, Tahir Cakir, Yeliz Demir and Ilhami Gulcin
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Molecular Docking and QSAR Studies of Coumarin Derivatives as NMT Inhibitors: Simple Structural Features as Potential Modulators of Antifungal Activity Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-09-30 Sapna Jain Dabade, Dheeraj Mandloi and Amritlal Bajaj
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Molecular Insights into the Interaction of Ursolic Acid and Cucurbitacin from Colocynth with Therapeutic Targets of Mycobacterium tuberculosis Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-09-30 Mohammad Ajmal Ali, Mohammad Abul Farah, Joongku Lee, Khalid M. Al-Anazi and Fahad M.A. Al-Hemaid
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Drug Re-purposing from SARS-CoV Led the Identification of Potential Candidate Drug Target and Alternate Drug Molecules Against SARSCoV- 2 Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-09-30 PV Parvati Sai Arun, Razak Hussain, Yusuf Akhter, Mandava Venkata Basaveswara Rao, Perugu Shyam and Sailu Yellaboina
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Indole Curcumin Reverses Multidrug Resistance by Reducing the Expression of ABCB1 and COX2 in Induced Multidrug Resistant Human Lung Cancer Cells Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-08-31 Sankar Pajaniradje , Kumaravel Mohankumar, Rakesh Radhakrishnan , Shamim Akhtar Sufi, Srividya Subramanian , Parthiban Anaikutti, Surya Prakash Rao Hulluru and Rukkumani Rajagopalan
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In Silico Design of a Novel Multi-Epitope Peptide Vaccine Against Hepatocellular Carcinoma Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-08-31 Fatemeh Motamedi Dehbarez, Navid Nezafat and Shirin Mahmoodi
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A Review on Robust Computational Approaches Based Identification and Authentication of Herbal Raw Drugs Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-08-31 Preet Amol Singh, Neha Bajwa, Subh Naman and Ashish Baldi
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Oleanolic Acid Derived from Plants: Synthesis and Pharmacological Properties of A-ring Modified Derivatives Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-08-31 Tingjuan Wu, Xu Yao, Guan Wang, Xiaohe Liu, Hongfei Chen, Zehua Yang and Xing Zheng
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Natural Sesquiterpene Lactones in the Prevention and Treatment of Inflammatory Disorders and cancer: A Systematic Study of this Emerging Therapeutic Approach based on Chemical and Pharmacological Aspect Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-08-31 Sudip Kumar Mandal, Utsab Debnath, Amresh Kumar, Sabu Thomas, Subhash Chandra Mandal, Manabendra Dutta Choudhury and Partha Palit
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Synthesis and Biological Evaluation of Benzodioxol Derivatives as Cyclooxygenase Inhibitors Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-08-31 Nidal Jaradat, Mohammed Hawash and Murad Abualhasan
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In Vitro Characteristics of Glioma Cells Targeting by OX26-modified Liposomal Cisplatin Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-08-31 Maryam Sadat Ashrafzadeh, Amir Heydarinasab, Azim Akbarzadeh and Mehdi Ardjmand
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Effect of Steroidal Hormone Pregnenolone on Proliferation and Differentiation of MC3T3-E1 Osteoblast like Cells Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-08-31 Serene Adnan Badran, Atia-tul-Wahab, Sharmeen Fayyaz, Bushra Taj Muhammad and Muhammad Iqbal Choudhary
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Development of Phthalimide-Donepezil Hybrids as Potent Multitarget- Directed Ligands for the Treatment of Alzheimer’s Disease Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-08-31 Lintao Yu, Jian Shi, Xinfeng Cheng, Keren Wang, Shuang Liu, Wenmin Liu and Zhipei Sang
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Discovery of New N-hydrazinecarbothioamide Indazole Hybrids: As Potential Radical (ABTS and DPPH) Scavengers Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-08-31 Rafaila Rafique, Arshia, Kanwal, Khalid Mohammed Khan, Sridevi Chigurupati, Uzma Salar, Muhammad Taha and Shahnaz Perveen
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Binding Mode Prediction and Identification of New Lead Compounds from Natural Products as 3-OST Enzyme Inhibitors Lett. Drug Des. Discov. (IF 1.169) Pub Date : 2020-08-31 Rui Sousa, Narayana Subbiah Hari Narayana Moorthy, Pedro Alexandrino Fernandes, Maria Joao Ramos and Natércia Fernandes Brás
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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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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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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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