Prediction of ADMET profile and anti-inflammatory potential of chamuangone by Sompot Jantarawong, Puripat Wathanaphanit, Pharkphoom Panichayupakaranant, Yutthana Pengjam

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Synthesis, antimicrobial evaluation, ADMET prediction, molecular docking and dynamics studies of pyridine and thiophene moiety-containing chalcones by Fahmida Akhter, Sumita Saznin Marufa, S. M. Anyet Ullah Shohag, Hiroshi Nishino, Mohammad Sayed Alam, Md. Aminul Haque, Mohammad Mostafizur Rahman

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Exploration of analgesic and anthelmintic activities of Artocarpus chaplasha ROXB. leaves supported by in silico molecular docking by S M Sohag, Sharmin Nur Toma, Md. Niaj Morshed, Md. Al Imran Imon, Md. Monirul Islam, Md. Ibnul Piash, Naznin Shahria, Imran Mahmud

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Evaluation of phenylethylamine type entactogens and their metabolites relevant to ecotoxicology – a QSAR study by Takač Milena Jadrijević-Mladar, Magina Joao Daniel Casimiro, Takač Tin

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Identification and molecular mechanism of angiotensin-converting enzyme inhibitory peptides from Larimichthys crocea titin by Yue Fan, Zhipeng Yu, Wenzhu Zhao, Long Ding, Fuping Zheng, Jianrong Li, Jingbo Liu

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Fragment optimized chalcone derivatives targeting OmpA protein as a therapeutic approach against multidrug resistant Acinetobacter baumannii by Muhammad Naveed, Amina Abid, Tariq Aziz, Ayesha Saleem, Arooj Arshad, Khushbakht Javed, Hafiz Muzzammel Rehman, Ghulam Nabi, Mitub Al-harbi, Abdullah F. Alasmari

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Structural tailoring of etoricoxib: A spectrochemical, medicinal and pharmacological study by Bakul Akter, Silvia Aishee, Abdullah Hridoy, Md. Mehedi Hasan Pulok, Mohammad Ariful Islam, Antu Biswas, Aurna Patwary, Majedul Hoque, MD. Sazidul Islam, Md. Nipatul Hasan Nirob, Faisal Islam Chowdhury, Monir Uzzaman

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Resveratrol-Based Carbamates as Selective Butyrylcholinesterase Inhibitors: Design, Synthesis, Computational Study and Biometal Complexation Capability by Maja Sviben, Ilijana Odak, Danijela Barić, Milena Mlakić, Ottó Horváth, Lajos Fodor, Sunčica Roca, Ivana Šagud, Irena Škorić

Subjects: “…ADMET…”
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Evaluation of fluorinated phospholipid analogs: A study on ADMET profiles, molecular docking and dynamics simulation in anticancer therapy by Saqib Ishaq, Obaid Habib, Abdul Aziz, Raheel Tahir, Hira Mushtaq, Said Hassan, Sarah Sarwar, Mohammad S. Mubarak, Ajaz Ahmad, Amin Ullah

Subjects: “…ADMET properties…”
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The potential of Curcuma longa L. bioactive compounds as RSK inhibitors for the treatment of prostate cancer: in silico study by Olusola Olalekan Elekofehinti, Foluso Adeola Taiwo, Moses Orimoloye Akinjiyan, Ifeoluwa Rachael Adetoyi, Folasade Oluwatobiloba Ayodeji, Adedotun Olayemi Oluwatuyi, Oluwapelumi Nifesimi Akintoye, Idayat Oyinkansola Kehinde, Bolanle Esther Adedapo, Opeyemi Iwaloye

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Synthesis, <i>In Vitro</i> and <i>In Silico</i> Molecular Docking Studies of Novel Phthalimide–Pyrimidine Hybrid Analogues to Thalidomide as Potent Antitubercular Agents by Wael Shehta, Norah A. Alsaiari, Basant Farag, Marwa M. Abdel-Aziz, Shaker Youssif, Sherin M Elfeky, Samar El-Kalyoubi, Nermine A. Osman

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Biological evaluation and interaction mechanism of beta-site APP cleaving enzyme 1 inhibitory pentapeptide from egg albumin by Zhipeng Yu, Sijia Wu, Wenzhu Zhao, Long Ding, David Shiuan, Fuping Zheng, Jianrong Li, Jingbo Liu

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<i>Tribulus terrestris</i> Fruit Extract: Bioactive Compounds, ADMET Analysis, and Molecular Docking with Penicillin-Binding Protein 2a Transpeptidase of Methicillin-Resistant <i>S... by Khalid J. Alzahrani

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Novel (±)-trans-β-lactam ureas: Synthesis, in silico and in vitro biological profiling by Jurin Mladenka, Stepanić Višnja, Bojanić Krunoslav, Vadlja Denis, Kontrec Darko, Dražić Tonko, Roje Marin

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Extraction, GC-MS analysis, cytotoxic, anti-inflammatory and anticancer potential of Cannabis sativa female flower; in vitro, in vivo and in silico by Waqas Safir, Arif Malik, Arif Malik, Haleema Saadia, Ayesha Zahid, Jinyao Li

Subjects: “…ADMET…”
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Promising inhibitors against main protease of SARS CoV-2 from medicinal plants: In silico identification by EBENEZER OLUWAKEMI, SHAPI MICHAEL

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Comprehensive safety and toxicity analysis of 2,2’-Bipyridine derivatives in combating MRSA biofilm formation and persistence by Priyanka, Priyanka, Mohini Sharma, Bhavna Vaid, Bhavna Vaid, Ram Bharti, Ram Bharti, Sachin Raut, Sachin Raut, R. S. Jolly, Neeraj Khatri, Neeraj Khatri

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Natural Product Identification and Molecular Docking Studies of Leishmania Major Pteridine Reductase Inhibitors by Moses N. Arthur, George Hanson, Emmanuel Broni, Patrick O. Sakyi, Henrietta Mensah-Brown, Whelton A. Miller, Samuel K. Kwofie

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Exploring the antimicrobial and antioxidative potential of Leucas aspera (Willd.) link: Phytochemical screening, molecular docking, and HR-LC/MS profiling against SARS-CoV-2 protei... by Thavasiaanatham Seenivasan Shalini, Ragothaman Prathiviraj, Poomalai Senthilraja

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Computational evaluation on spectroscopic (FT-IR, Raman), electronic and biological, and NLO properties of cirsilineol by DFT, ADMET, and molecular docking method by Tirth Raj Paneru, Poonam Tandon, Bhawani Datt Joshi

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