Combinatorial Chemistry & High Throughput Screening

Potential of MurA Enzyme and GBAP in Fsr Quorum Sensing System as Antibacterial Drugs Target: In vitro and In silico Study of Antibacterial Compounds from Myrmecodia pendans open access plus

Volume: 24   Issue: 1
Pp: 109-118
Eti Apriyanti, Mieke H. Satari and Dikdik Kurnia*
DOI: 10.2174/1386207323666200628111348

Host-directed Therapy: A New Arsenal to Come

Volume: 24   Issue: 1
Pp: 59-70
Mradul Mohan* and Debapriya Bhattacharya*
DOI: 10.2174/1386207323999200728115857

Rhodamine B - as New Chromophore for the Determination of Melatonin in Biological, Food, and Pharmaceutical Samples

Volume: 23   Issue: 10
Pp: 1080-1089
Alexandrina Lungu-Moscalu, Catalina C. Negut, Cristina Stefanov, Raluca-Ioana S. van Staden*, Andrei A. Bunaciu and Jacobus F. van Staden
DOI: 10.2174/1386207323666200628111958

Inhibition of Cyclooxygenase Enzyme by Bioflavonoids in Horsegram Seeds Alleviates Pain and Inflammation

Volume: 23   Issue: 9
Pp: 931-938
Malarvizhi Ramalingam, Veeresh K. Sali, Meenakshi Bhardwaj, Sugumar Mani and Hannah R. Vasanthi*
DOI: 10.2174/1386207323666200127114551

Synthesis of New 3-Arylaminophthalides and 3-Indolyl-phthalides using Ammonium Chloride, Evaluation of their Anti-Mycobacterial Potential and Docking Study

Volume: 23   Issue: 8
Pp: 723-739
Avinash Patil, Harleen Duggal, Kamini T. Bagul, Sonali Kamble, Pradeep Lokhande*, Rajesh Gacche* and Rohan Meshram*
DOI: 10.2174/1386207323666200422082754

Synthesis, Conformational Analysis, Infrared, Raman and UV-Visible Spectra of Novel Schiff Bases compiled with DFT Calculations

Volume: 23   Issue: 7
Pp: 568-586
Samy M. Ahmed, Ibrahim A. Shaaban, Elsayed H. El-Mossalamy and Tarek A. Mohamed*
DOI: 10.2174/1386207323666200127161207

iSP-RAAC: Identify Secretory Proteins of Malaria Parasite Using Reduced Amino Acid Composition

Volume: 23   Issue: 6
Pp: 536-545
Haoyue Zhang, Qilemuge Xi, Shenghui Huang, Lei Zheng, Wuritu Yang* and Yongchun Zuo*
DOI: 10.2174/1386207323666200402084518

Synthesis, Antitumor Activity and Molecular Docking Studies on Seven Novel Thiazacridine Derivatives

Volume: 23   Issue: 5
Pp: 359-368
Marcel L. Almeida, Douglas C.F. Viana , Valécia C.M. da Costa, Flaviana A. dos Santos, Michelly C. Pereira, Maira G.R. Pitta , Moacyr J.B. de Melo Rêgo, Ivan R. Pitta and Marina G.R. Pitta*
DOI: 10.2174/1386207323666200319105239

Drug Target Group Prediction with Multiple Drug Networks

Volume: 23   Issue: 4
Pp: 274-284
Jingang Che, Lei Chen*, Zi-Han Guo, Shuaiqun Wang and Aorigele
DOI: 10.2174/1386207322666190702103927

Design and Fabrication of a Magnetite-based Polymer-supported Hybrid Nanocomposite: A Promising Heterogeneous Catalytic System Utilized in Known Palladium-assisted Coupling Reactions

Volume: 23   Issue: 2
Pp: 119-125
Ali Maleki*, Reza Taheri-Ledari and Reza Ghalavand
DOI: 10.2174/1386207323666200128152136

Network Pharmacology Analysis on Zhichan Powder in the Treatment of Parkinson's Disease

Volume: 23   Issue: 1
Pp: 28-40
Jia Li, Xinchang Qi, Yajuan Sun, Yingyu Zhang and Jiajun Chen*
DOI: 10.2174/1386207323666200102124302

Synthesis of 2-Substituted 4-Arylidene-5(4H)-oxazolones as Potential Cytotoxic Agents in the Presence of Lemon Juice as a Biocatalyst

Volume: 22   Issue: 9
Pp: 625-634
Malavattu G. Prasad, Chapala V. Lakshmi, Naresh K. Katari*, Krishnan Anand, Manojit Pal* and Sreekantha B. Jonnalagadda
DOI: 10.2174/1386207322666191024105150

New Amine and Aromatic Substituted Analogues of Phencyclidine: Synthesis and Determination of Acute and Chronic Pain Activities

Volume: 22   Issue: 8
Pp: 570-576
Maryam Shokrollahi, Marjaneh Samadizadeh, Mohsen Khalili, Seyed A. Sobhanian and Abbas Ahmadi*
DOI: 10.2174/1386207322666191016152157

Screening GLP-1 Receptor Ligands from Natural Products in Herbs through High-Content Technique

Volume: 22   Issue: 7
Pp: 445-454
Kunhao Qin, Shengting Zhang, Jie Wang, Dongbo Liu, Yingying Xiang, Xiuling Ji and Yunlin Wei*
DOI: 10.2174/1386207322666190919143735

Systematic Investigation of Quercetin for Treating Cardiovascular Disease Based on Network Pharmacology

Volume: 22   Issue: 6
Pp: 411-420
Xian-Jun Wu, Xin-Bin Zhou, Chen Chen and Wei Mao *
DOI: 10.2174/1386207322666190717124507

Biochemometrics and Required Tools in Botanical Natural Products Research: A Review

Volume: 22   Issue: 5
Pp: 290-306
Kevin M. Wyss, Graham C. Llivina and Angela I. Calderón*
DOI: 10.2174/1386207322666190704094003

Recognition of Lung Adenocarcinoma-specific Gene Pairs Based on Genetic Algorithm and Establishment of a Deep Learning Prediction Model

Volume: 22   Issue: 4
Pp: 256-265
Zhongwei Zhao, Xiaoxi Fan, Lili Yang, Jingjing Song, Shiji Fang, Jianfei Tu, Minjiang Chen, Jie Li, Liyun Zheng, Fazong Wu, Dengke Zhang, Xihui Ying and Jiansong Ji*
DOI: 10.2174/1386207322666190530102245

Expression and Significance of LncRNA-MINCR and CDK2 mRNA in Primary Hepatocellular Carcinoma

Volume: 22   Issue: 3
Pp: 201-206
Jiangshan Lian, Xiaolin Zhang, Yingfeng Lu, Shaorui Hao, Zhe Zhang and Yida Yang*
DOI: 10.2174/1386207322666190404151020

Progress in Molecularly Imprinted Polymers for Biomedical Applications

Volume: 22   Issue: 2
Pp: 78-88
Jane Ru Choi*, Kar Wey Yong*, Jean Yu Choi and Alistair C. Cowie
DOI: 10.2174/1386207322666190325115526

Comparison of the Full-Length and 152~528 Truncate of Human Cyclic Nucleotide Phosphodiesterase 4B2 for the Characterization of Inhibitors

Volume: 22   Issue: 1
Pp: 49-58
Xiang Zhang, Shu He, Xiaolei Hu, Jing Wu, Xinpeng Li, Fei Liao* and Xiaolan Yang*
DOI: 10.2174/1386207322666190306142810

Maxillary Metastasis of Esophageal Cancer: Report of the First Case and Literature Review

Volume: 21   Issue: 10
Pp: 801-805
Hong Hu, Jing Wang, Xiao-Yun Zhou, Meng-Ting Tong, Chong-Ya Zhai, Xin-Bing Sui, Yan-Hua Zhang, Xiao-Xi Xie, Hao Liu, Jian-Sheng Xie, Hong-Ming Pan* and Da Li*
DOI: 10.2174/1386207322666190103105938

Catalytic Conversion of Biorenewable Sugar Feedstocks into Market Chemicals

Volume: 21   Issue: 9
Pp: 616-630
Gary Diamond, Alfred Hagemeyer*, Vince Murphy and Valery Sokolovskii
DOI: 10.2174/1386207322666181219155050

Prognostic Impact of Lymphadenectomy in Different Stages of Malignant Germ Cell Tumor of the Ovary Based on Propensity Score Matching

Volume: 21   Issue: 9
Pp: 652-661
Ying Chen, Yang Ning, Qinghua Zhang and Ying Xie*
DOI: 10.2174/1386207322666181220121836

Synthesis of Novel α-amidino Carboxylic Acids and their Use as H-Bond Catalysts in Strecker Reaction

Volume: 21   Issue: 8
Pp: 609-614
Zahra Zaghari and Javad Azizian*
DOI: 10.2174/1386207321666181114110039

Application of QSAR Analysis and Different Quantum Chemical Calculation Methods in Activity Evaluation of Selected Fluoroquinolones

Volume: 21   Issue: 7
Pp: 468-475
Piotr Kawczak*, Leszek Bober and Tomasz Bączek
DOI: 10.2174/1386207321666180827105856

A Six-Gene Signature Predicts Clinical Outcome of Gastric Adenocarcinoma

Volume: 21   Issue: 6
Pp: 444-452
YaQi Li, Qi Yu, Rui Zhu, Yi Wang, Jiarui Li, Qiang Wang, Wenna Guo, Shen Fu* and Liucun Zhu*
DOI: 10.2174/1871524918666180531085713

Assessing and Grouping Chemicals Applying Partial Ordering Alkyl Anilines as an Illustrative Example

Volume: 21   Issue: 5
Pp: 349-357
Lars Carlsen* and Rainer Bruggemann
DOI: 10.2174/1386207321666180604103942

Phytochemical Screening, Antiproliferative and Antioxidant Properties of Various Extracts from Endemic Origanum acutidens

Volume: 21   Issue: 4
Pp: 281-291
Feyza Oke-Altuntas, Mehmet Ali Demirci, Ibrahim Demirtas*, Ayse Sahin Yaglioglu and Lutfi Behcet
DOI: 10.2174/1386207321666180416154404

Extraction, Identification and Biological Activities of Saponins in Sea Cucumber Pearsonothuria graeffei

Volume: 21   Issue: 3
Pp: 222-231
Rafat Afifi Khattab, Mohamed Elbandy, Andrew Lawrence, Tim Paget, Jung Rae-Rho, Yaser S. Binnaser and Imran Ali*
DOI: 10.2174/1386207321666180212165448

Chemometric Analysis for the Classification of some Groups of Drugs with Divergent Pharmacological Activity on the Basis of some Chromatographic and Molecular Modeling Parameters

Volume: 21   Issue: 2
Pp: 125-137
Jolanta Stasiak, Marcin Koba*, Marcin Gackowski and Tomasz Baczek
DOI: 10.2174/1386207321666180129102149

A High-throughput Screening of a Chemical Compound Library in Ovarian Cancer Stem Cells

Volume: 21   Issue: 1
Pp: 50-56
F. Ricci*, L. Carrassa, M. S. Christodoulou, D. Passarella, B. Michel, R. Benhida, N. Martinet, A. Hunyadi, E. Ioannou, V. Roussis, L. Musso, S. Dallavalle, R. Silvestri, N. Westwood, M. Mori, C. Ingallina, B. Botta, E. Kavetsou, A. Detsi, Z. Majer, F. Hudecz, S. Bosze, B. Kaminska, T.V. Hansen, P. Bertrand, C. M. Athanassopoulos and G. Damia*
DOI: 10.2174/1386207321666180124093406

A Review of Computational Drug Repositioning Approaches

Volume: 20   Issue: 10
Pp: 831-838
Guohua Huang*, Jincheng Li, Peng Wang and Weibiao Li
DOI: 10.2174/1386207321666171221112835

High Throughput Screening Assay to Identify Modulators of IL-17 Expression

Volume: 20   Issue: 9
Pp: 804-819
Mohamed Boudjelal*, Ana Maria Ruiz-Avendano, Gonzalo Colmenarejo, Sergio A. Senar-Sancho, Ashley Barnes and Stephen A. Harrison*
DOI: 10.2174/1386207320666170602091308

Synthesis and Anticancer Evaluation of Thiazacridine Derivatives Reveals New Selective Molecules to Hematopoietic Neoplastic Cells

Volume: 20   Issue: 8
Pp: 713-718
Moacyr J.B. de Melo Rego*, Wanessa l.b. de Sena, Ricardo O. de Moura, Iris T.T. Jacob, Thiago U. Lins e Lins, Michelly C. Pereira, Maria do Carmo A. Lima, Marina R. Galdino-Pitta, Ivan da R. Pitta and Maira G. da Rocha Pitta
DOI: 10.2174/1386207320666170724114802

The Safety of Ovarian Preservation in Stage I Endometrial Endometrioid Adenocarcinoma Based on Propensity Score Matching

Volume: 20   Issue: 7
Pp: 647-655
Ting Hou, Yidi Sun, Junyi Li, Chenglin Liu, Zhen Wang, Yixue Li* and Yuan Lu*
DOI: 10.2174/1386207320666170417145856

Molecular Characterization and In-Silico Analysis of the Tissue Inhibitor of Metalloproteinases-3 (TIMP-3) Gene of Canine Mammary Tumor

Volume: 20   Issue: 6
Pp: 539-546
Pavan Kumar Yadav*, Brijesh Singh Yadav*, Padma Nibash Panigrahi, Vijay Tripathi, Navaneet Chaturvedi and Meena Kataria
DOI: 10.2174/1386207320666170217150741

The Breakthroughs in Cancer Immune Checkpoint Based Therapy: A Review of Development in Immune Checkpoint Study and its Application

Volume: 20   Issue: 5
Pp: 430-439
Yao Huang, Dong Liang, Jingfeng Liu, Jinhua Zeng and Yongyi Zeng*
DOI: 10.2174/1386207320666170315121728

Harmony Search as a Powerful Tool for Feature Selection in QSPR Study of the Drugs Lipophilicity

Volume: 20   Issue: 4
Pp: 321-327
Behnoosh Bahadori and Morteza Atabati*
DOI: 10.2174/1386207320666170315123604

Metabolomics as a Functional Tool in Screening Gastro Intestinal Diseases: Where are we in High Throughput Screening?

Volume: 20   Issue: 3
Pp: 247-254
Rohit Gundamaraju, Ravichandra Vemuri, Rajaraman Eri, Hamilton M. Ishiki, Ericsson Coy-Barrera, Nagendra Sastry Yarla, Sócrates Golzio dos Santos, Mateus Feitosa Alves, José Maria Barbosa Filho, Margareth F. F. M. Diniz, Marcus T. Scotti and Luciana Scotti
DOI: 10.2174/1386207319666161220122903

Integrated Differential Regulatory Analysis Reveals a Novel Prognostic 36-Gene Signature for Gastric Cancer in Asian Population

Volume: 20   Issue: 2
Pp: 174-181
Junyi Li, Sujuan Wu, Liguang Yang, Yi-Xue Li, Bing-Ya Liu* and Yuan-Yuan Li*
DOI: 10.2174/1386207320666170117121543

Probing into the Molecular Requirements for Antioxidant Activity in Plant Phenolic Compounds Utilizing a Combined Strategy of PCA and ANN

Volume: 20   Issue: 1
Pp: 25-34
Snezana Agatonovic-Kustrin, David W. Morton and Petar Ristivojevic
DOI: 10.2174/1386207320666170102123146

Fragment Pharmacophore-Based Screening: An Efficient Approach for Discovery of New Inhibitors of Toll-Like Receptor 5

Volume: 19   Issue: 10
Pp: 834-840
Hoora Hashemi, Malihe Hassanzadeh and Massoud Amanlou
DOI: 10.2174/1386207319666160907103507

Structural Comparison of Gene Relevance Networks for Breast Cancer Tissues in Different Grades

Volume: 19   Issue: 9
Pp: 714-719
Yulin Zhang, Yulin Dong, Kebo Lv, Qingfeng Zhao and Jionglong Su
DOI: 10.2174/1386207319666160831152801

Proteases and their Inhibitors: From Basic to High Throughput Screening

Volume: 19   Issue: 8
Pp: 636-643
Leticia Casas-Godoy and Georgina Sandoval
DOI: 10.2174/1386207319666151110123725

Natural Products as a Source for Antileishmanial and Antitrypanosomal Agents

Volume: 19   Issue: 7
Pp: 537-553
Marcus Tullius Scotti, Luciana Scotti, Hamilton Ishiki, Frederico Fávaro Ribeiro, Rayssa Marques Duarte da Cruz, Michelle Pedrosa de Oliveira and Francisco Jaime Bezerra Mendonça
DOI: 10.2174/1386207319666160506123921

Inhibition of P-Glycoprotein Mediated Efflux of Paclitaxel by Coumarin Derivatives in Cancer Stem Cells: An In Silico Approach

Volume: 19   Issue: 6
Pp: 497-506
Anushree Tripathi and Krishna Misra
DOI: 10.2174/1386207319666160517115158

Fluorescent Formazans and Tetrazolium Salts - Towards Fluorescent Cytotoxicity Assays

Volume: 19   Issue: 5
Pp: 384-391
Melissa K. Ladyman, Jeffrey G.A. Walton, Annamaria Lilienkampf and Mark Bradley
DOI: 10.2174/1386207319666160408150913

Identification of Protein Palmitoylation Inhibitors from a Scaffold Ranking Library open access plus

Volume: 19   Issue: 4
Pp: 262-274
Laura D. Hamel, Brian J. Lenhart, David A. Mitchell, Radleigh G. Santos, Marc A. Giulianotti and Robert J. Deschenes*
DOI: 10.2174/1386207319666160324123844

High Throughput Screening for Colorectal Cancer Specific Compounds

Volume: 19   Issue: 3
Pp: 180-188
Jingping Xie, Chunxia Wang and John C. Gore
DOI: 10.2174/1386207319666160202120928

Are Topological Properties of Drug Targets Based on Protein-Protein Interaction Network Ready to Predict Potential Drug Targets?

Volume: 19   Issue: 2
Pp: 109-120
Shiliang Li, Xiaojuan Yu, Chuanxin Zou, Jiayu Gong and Xiaofeng Liu
DOI: 10.2174/1386207319666151110122145

A Rapid Python-Based Methodology for Target-Focused Combinatorial Library Design promotion: free to download

Volume: 19   Issue: 1
Pp: 25-35
Shiliang Li, Yuwei Song, Xiaofeng Liu and Honglin Li
DOI: 10.2174/1386207318666151102094055

Simultaneous multicolor luciferase reporter assays for monitoring of multiple genes expressions

Volume: 18   Issue: 10
Pp: 937-945
Yoshihiro Ohmiya
DOI: 10.2174/1386207318666150917095903

Network Pharmacology of Ayurveda Formulation Triphala with Special Reference to Anti-Cancer Property

Volume: 18   Issue: 9
Pp: 846-854
Uma Chandran, Neelay Mehendale, Girish Tillu and Bhushan Patwardhan
DOI: 10.2174/1386207318666151019093606

Design and Development of ChemInfoCloud: An Integrated Cloud Enabled Platform for Virtual Screening

Volume: 18   Issue: 6
Pp: 604-619
Muthukumarasamy Karthikeyan, Deepak Pandit, Arvind Bhavasar and Renu Vyas
DOI: 10.2174/1386207318666150703113656

A High Throughput, 384-Well, Semi-Automated, Hepatocyte Intrinsic Clearance Assay for Screening New Molecular Entities in Drug Discovery

Volume: 18   Issue: 5
Pp: 442-452
Lance Heinle, Vincent Peterkin, Sonia M. de Morais, Gary J. Jenkins and Ilaria Badagnani
DOI: 10.2174/1386207318666150401101737

G-Protein Coupled Receptors (GPCRs): A Comprehensive Computational Perspective

Volume: 18   Issue: 4
Pp: 346-364
M. Ramesh and Mahmoud E. Soliman
DOI: 10.2174/1386207318666150305155545

Comparing Global and Local Likelihood Score Thresholds in Multiclass Laplacian-Modified Naive Bayes Protein Target Prediction

Volume: 18   Issue: 3
Pp: 323-330
Georgios Drakakis, Alexios Koutsoukas, Suzanne C. Brewerton, Michael J. Bodkin, David A. Evans and Andreas Bender
DOI: 10.2174/1386207318666150305145012

Discovery of New Potential Antimalarial Compounds Using Virtual Screening of ZINC Database

Volume: 18   Issue: 2
Pp: 227-234
Jahan B. Ghasemi, Fereshteh Shiri, Somayeh Pirhadi and Zahra Heidari
DOI: 10.2174/1386207318666141229123705

Discovery of MINC1, a GTPase-Activating Protein Small Molecule Inhibitor, Targeting MgcRacGAP promotion: free to download

Volume: 18   Issue: 1
Pp: 3-17
Arjan J. van Adrichem, Annika Fagerholm, Laura Turunen, Anna Lehto, Jani Saarela, Ari Koskinen, Gretchen A. Repasky and Krister Wennerberg*
DOI: 10.2174/1386207318666141205112730

Rapid Screening of Different Types of Antitumor Compound Groups from Traditional Chinese Medicine by Hollow Fiber Cell Fishing with High Performance Liquid Chromatography

Volume: 17   Issue: 10
Pp: 827-836
Li-Sha Zhang, Xuan Chen, Shuang Hu, Xia Sheng and Xiao-Hong Bai
DOI: 10.2174/1386207317666141031101709

Establishment of a Novel Whole Animal HTS Technology Platform for Melioidosis Drug Discovery

Volume: 17   Issue: 9
Pp: 790-803
Umayal Lakshmanan, Amelia Yap, Justina Fulwood, Li Yichun, Sim Siew Hoon, Jolander Lim, Audrey Ting, Xiao Hui Sem, Jason F. Kreisberg, Patrick Tan, Gladys Tan and Horst Flotow
DOI: 10.2174/1386207317666141019195031