Search Results - "ADME"

In silico study of properties in the series of 1-alkyl-4-(((5-nitrofuran-2-yl)methylene)amino)- 1,2,4-triazole halides by L. I. Kucherenko, T. S. Brytanova, A. S. Hotsulia

Connect to this object online.

Network pharmacology combined with molecular docking and in vitro verification reveals the therapeutic potential of Delphinium roylei munz constituents on breast carcinoma by Wajahat Rashid Mir, Basharat Ahmad Bhat, Ashish Kumar, Rohan Dhiman, Mustfa Alkhanani, Abdullah Almilaibary, Mohd Younis Dar, Showkat Ahmad Ganie, Manzoor Ahmad Mir

Connect to this object online.

Modeling of interactions between xenobiotics and cytochrome P450 (CYP) enzymes by Hannu eRaunio

Connect to this object online.

Molecular docking, drug-likeness and DFT study of some modified tetrahydrocurcumins as potential anticancer agents by Ahmed Mahal, Marwan Al-Janabi, Volkan Eyüpoğlu, Anas Alkhouri, Samir Chtita, Mustafa M. Kadhim, Ahmad J. Obaidullah, Jawaher M. Alotaibi, Xiaoyi Wei, Mohammad Rizki Fadhil Pratama

Connect to this object online.

Forced degradation studies of ivabradine and in silico toxicology predictions for its new designated impurities by Piotr ePikul, Marzena eJamrógiewicz, Joanna eNowakowska, Weronika eHewelt-Belka, Weronika eHewelt-Belka, Krzesimir eCiura

Connect to this object online.

Antibacterial Properties and Computational Insights of Potent Novel Linezolid-Based Oxazolidinones by M. Shaheer Malik, Shaikh Faazil, Meshari A. Alsharif, Qazi Mohammad Sajid Jamal, Jabir H. Al-Fahemi, Amrita Banerjee, Arpita Chattopadhyay, Samir Kumar Pal, Ahmed Kamal, Saleh A. Ahmed

Connect to this object online.

Identification of novel PHGDH inhibitors based on computational investigation: an all-in-one combination strategy to develop potential anti-cancer candidates by Yujing Xu, Zhe Yang, Jinrong Yang, Chunchun Gan, Nan Qin, Xiaopeng Wei

Connect to this object online.

Starch Nanoparticles for Enhancement of Oral Bioavailability of a Newly Synthesized Thienopyrimidine Derivative with Anti-Proliferative Activity Against Pancreatic Cancer by Gardouh AR, Srag El-Din AS, Salem MSH, Moustafa Y, Gad S

Connect to this object online.

Quantum chemical modelling, molecular docking, synthesis and experimental anti-microbial activity of 1,4-diazepan linked piperidine derivative by Khushbu Agrawal, Tarun M. Patel, Shavi Thakur, Kruti Patel, Sumit Mittal

Connect to this object online.

Search for molecular descriptors and computer prediction of biological activity in a series of S-derivatives (1,2,4-triazole-3(2H)-yl)methyl)thiopyrimidines by Yu. V. Karpenko, O. I. Panasenko, A. P. Litun

Connect to this object online.

New Isatin–Indole Conjugates: Synthesis, Characterization, and a Plausible Mechanism of Their in vitro Antiproliferative Activity by Al-Wabli RI, Almomen AA, Almutairi MS, Keeton AB, Piazza GA, Attia MI

Connect to this object online.

In Vitro and In Silico Toxicological Properties of Natural Antioxidant Therapeutic Agent <i>Azima</i> <i>tetracantha</i>. LAM by Palanisamy Prakash, Nisha Kumari, Ekambaram Gayathiri, Kuppusamy Selvam, Manikavali Gurunadhan Ragunathan, Murugesan Chandrasekaran, Munirah Abdullah Al-Dosary, Ashraf Atef Hatamleh, Ashok Kumar Nadda, Manu Kumar

Connect to this object online.

Elucidation of the Anti-Inflammatory Mechanisms of Bupleuri and Scutellariae Radix Using System Pharmacological Analyses by Xia Shen, Zhenyu Zhao, Hao Wang, Zihu Guo, Benxiang Hu, Gang Zhang

Connect to this object online.

Pharmacological and computer-aided studies provide new insights into Millettia peguensis Ali (Fabaceae) by Safaet Alam, Nazim Uddin Emon, Saimon Shahriar, Fahmida Tasnim Richi, Mohammad Rashedul Haque, Mohammad Nazmul Islam, Shahenur Alam Sakib, Amlan Ganguly

Connect to this object online.

Machine learning framework to predict pharmacokinetic profile of small molecule drugs based on chemical structure by Nikhil Pillai, Alexandra Abos, Donato Teutonico, Panteleimon D. Mavroudis

Connect to this object online.

Predicting disruptions to drug pharmacokinetics and the risk of adverse drug reactions in non-alcoholic steatohepatitis patients by Solène Marie, Kayla L. Frost, Raymond K. Hau, Lucy Martinez-Guerrero, Jailyn M. Izu, Cassandra M. Myers, Stephen H. Wright, Nathan J. Cherrington

Connect to this object online.

Preclinical Pharmacokinetics and In Vitro Properties of GS-441524, a Potential Oral Drug Candidate for COVID-19 Treatment by Amy Q. Wang, Natalie R. Hagen, Elias C. Padilha, Mengbi Yang, Pranav Shah, Catherine Z. Chen, Wenwei Huang, Pramod Terse, Philip Sanderson, Wei Zheng, Xin Xu

Connect to this object online.

3D-ALMOND-QSAR Models to Predict the Antidepressant Effect of Some Natural Compounds by Speranta Avram, Miruna Silvia Stan, Ana Maria Udrea, Cătălin Buiu, Anca Andreea Boboc, Maria Mernea

Connect to this object online.

In Silico Prediction of Binding Affinities of Hybrid Molecules of Benzothiazole Linked with Hydroxamic Acid by Disulfide Bond and Certain Linkers with HDAC8 Enzyme by Mayssam Hazem, Shakir M. Alwan

Connect to this object online.

In silico and antithrombotic studies of 1,3,4-oxadiazoles derived from benzimidazole by B. Vishwanathan, B. M. Gurupadayya, K. Venkata Sairam

Connect to this object online.