PHARMACOINFORMATICS IN CHOLELITHIASIS PATIENTS by О. V. Kyrpach, V. V. Trokhymchuk

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A Pharmacoinformatic Prediction Model For Adverse Drug Reactions by Omar, Moayyad Jamal Abdel Jabbar Al

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Thai ethnopharmacological herbs for tuberculosis treatment: Pharmacoinformatics analysis for therapeutic property by Pathum Sookaromdee, Viroj Wiwanitkit

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Unveiling of Pyrimidindinones as Potential Anti-Norovirus Agents—A Pharmacoinformatic-Based Approach by Oluwakemi Ebenezer, Nkululeko Damoyi, Maryam A. Jordaan, Michael Shapi

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New Drug Design Avenues Targeting Alzheimer’s Disease by Pharmacoinformatics-Aided Tools by Lily Arrué, Alexandra Cigna-Méndez, Tábata Barbosa, Paola Borrego-Muñoz, Silvia Struve-Villalobos, Victoria Oviedo, Claudia Martínez-García, Alexis Sepúlveda-Lara, Natalia Millán, José C. E. Márquez Montesinos, Juana Muñoz, Paula A. Santana, Carlos Peña-Varas, George E. Barreto, Janneth González, David Ramírez

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Review on potential phytocompounds in drug development for Parkinson disease: A pharmacoinformatic approach by S. Vijayakumar, S. Prabhu, S. Rajalakhsmi, P. Manogar

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Identification of CDK7 Inhibitors from Natural Sources Using Pharmacoinformatics and Molecular Dynamics Simulations by Vikas Kumar, Shraddha Parate, Gunjan Thakur, Gihwan Lee, Hyeon-Su Ro, Yongseong Kim, Hong Ja Kim, Myeong Ok Kim, Keun Woo Lee

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Pharmacoinformatic Approach to Explore the Antidote Potential of Phytochemicals on Bungarotoxin from Indian Krait, Bungarus caeruleus by Barani Kumar Rajendran, M. Xavier Suresh, Shanmuga Priya Bhaskaran, Yarradoddi Harshitha, Uma Gaur, Hang Fai Kwok

“…These herbal compounds were taken and pharmacoinformatic approaches such as ADMET, docking and molecular dynamics were employed. …”
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Pharmacoinformatics-based investigation of bioactive compounds of Rasam (South Indian recipe) against human cancer by Arjun Kumar Kalimuthu, Theivendren Panneerselvam, Parasuraman Pavadai, Sureshbabu Ram Kumar Pandian, Krishnan Sundar, Sankaranarayanan Murugesan, Damodar Nayak Ammunje, Sattanathan Kumar, Sankarganesh Arunachalam, Selvaraj Kunjiappan

“…Abstract Spice-rich recipes are referred to as “functional foods” because they include a variety of bioactive chemicals that have health-promoting properties, in addition to their nutritional value. Using pharmacoinformatics-based analysis, we explored the relevance of bioactive chemicals found in Rasam (a South Indian cuisine) against oxidative stress-induced human malignancies. …”
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Experimentally Validated Pharmacoinformatics Approach to Predict hERG Inhibition Potential of New Chemical Entities by Saba Munawar, Saba Munawar, Monique J. Windley, Edwin G. Tse, Matthew H. Todd, Adam P. Hill, Jamie I. Vandenberg, Ishrat Jabeen

“…Therefore, we presented a pharmacoinformatics strategy using combined ligand and structure based models for the prediction of hERG inhibition potential (IC50) of new chemical entities (NCEs) during early stages of drug design and development. …”
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A Pharmacoinformatics Analysis of Artemisinin Targets and de novo Design of Hits for Treating Ulcerative Colitis by Rui Tian, Yufei Li, Xiaofeng Wang, Jiajun Li, Yingqian Li, Shaosheng Bei, Huashan Li

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Identification of potent inhibitors of SARS-CoV-2 infection by combined pharmacological evaluation and cellular network prioritization by J.J. Patten, Patrick T. Keiser, Deisy Morselli-Gysi, Giulia Menichetti, Hiroyuki Mori, Callie J. Donahue, Xiao Gan, Italo do Valle, Kathleen Geoghegan-Barek, Manu Anantpadma, RuthMabel Boytz, Jacob L. Berrigan, Sarah H. Stubbs, Tess Ayazika, Colin O’Leary, Sallieu Jalloh, Florence Wagner, Seyoum Ayehunie, Stephen J. Elledge, Deborah Anderson, Joseph Loscalzo, Marinka Zitnik, Suryaram Gummuluru, Mark N. Namchuk, Albert-László Barabási, Robert A. Davey

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Metabolomics-based phenotypic screens for evaluation of drug synergy via direct-infusion mass spectrometry by Xiyuan Lu, G. Lavender Hackman, Achinto Saha, Atul Singh Rathore, Meghan Collins, Chelsea Friedman, S. Stephen Yi, Fumio Matsuda, John DiGiovanni, Alessia Lodi, Stefano Tiziani

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A computational framework of host-based drug repositioning for broad-spectrum antivirals against RNA viruses by Zexu Li, Yingjia Yao, Xiaolong Cheng, Qing Chen, Wenchang Zhao, Shixin Ma, Zihan Li, Hu Zhou, Wei Li, Teng Fei

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Identification of Novel Ribonucleotide Reductase Inhibitors for Therapeutic Application in Bile Tract Cancer: An Advanced Pharmacoinformatics Study by Md Ataul Islam, Mayuri Makarand Barshetty, Sridhar Srinivasan, Dawood Babu Dudekula, V. P. Subramanyam Rallabandi, Sameer Mohammed, Sathishkumar Natarajan, Junhyung Park

“…A set of comprehensive pharmacoinformatics approaches was implemented and, finally, seventeen potential molecules were found to be effective for the modulation of hRRM1 activity. …”
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Pharmacoinformatics approach for investigation of alternative potential hepatitis C virus nonstructural protein 5B inhibitors by Mirza MU, Ghori NUH, Ikram N, Adil AR, Manzoor S

“…In the current study, we applied a pharmacoinformatics-based approach for the identification of active plant-derived compounds against NS5B. …”
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Pharmacoinformatics elucidation of potential drug targets against migraine to target ion channel protein KCNK18 by Sehgal SA, Hassan M, Rashid S

“…Keywords: migraine, bioinformatics, modeling and docking, KCNK18, TRESK, virtual screening, pharmacoinformatics…”
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Identification of Activated Cdc42-Associated Kinase Inhibitors as Potential Anticancer Agents Using Pharmacoinformatic Approaches by Vikas Kumar, Raj Kumar, Shraddha Parate, Danishuddin, Gihwan Lee, Moonhyuk Kwon, Seong-Hee Jeong, Hyeon-Su Ro, Keun Woo Lee, Seon-Won Kim

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Investigation of Flavonoid Scaffolds as DAX1 Inhibitors against Ewing Sarcoma through Pharmacoinformatic and Dynamic Simulation Studies by Muhammad Yasir, Jinyoung Park, Eun-Taek Han, Won Sun Park, Jin-Hee Han, Yong-Soo Kwon, Hee-Jae Lee, Mubashir Hassan, Andrzej Kloczkowski, Wanjoo Chun

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Screening of β1- and β2-Adrenergic Receptor Modulators through Advanced Pharmacoinformatics and Machine Learning Approaches by Md Ataul Islam, V. P. Subramanyam Rallabandi, Sameer Mohammed, Sridhar Srinivasan, Sathishkumar Natarajan, Dawood Babu Dudekula, Junhyung Park

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