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Saleem Akbar, Subham Das, Ashif Iqubal & Bahar Ahmed. (2022) Synthesis, biological evaluation and molecular dynamics studies of oxadiazine derivatives as potential anti-hepatotoxic agents. Journal of Biomolecular Structure and Dynamics 40:20, pages 9974-9991.
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Sajjad Ahmad, Mater H Mahnashi, Bandar A Alyami, Yahya S Alqahtani, Farhat Ullah, Muhammad Ayaz, Muhammad Tariq, Abdul Sadiq & Umer Rashid. (2021) Synthesis of Michael Adducts as Key Building Blocks for Potential Analgesic Drugs: In vitro, in vivo and in silico Explorations. Drug Design, Development and Therapy 15, pages 1299-1313.
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Qudsia Tabassam, Tahir Mehmood, Abdul Rauf Raza, Azmat Ullah, Farhan Saeed & Faqir Muhammad Anjum. (2020) Synthesis, Characterization and Anti-Cancer Therapeutic Potential of Withanolide-A with 20nm sAuNPs Conjugates Against SKBR3 Breast Cancer Cell Line. International Journal of Nanomedicine 15, pages 6649-6658.
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Surya Narayan Rath, Lingaraja Jena & Manorama Patri. (2020) Understanding ligands driven mechanism of wild and mutant aryl hydrocarbon receptor in presence of phytochemicals combating Parkinson’s disease: an in silico and in vivo study. Journal of Biomolecular Structure and Dynamics 38:3, pages 807-826.
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Articles from other publishers (46)
Agneesh Pratim Das & Subhash Mohan Agarwal. (2023) Recent advances in the area of plant-based anti-cancer drug discovery using computational approaches. Molecular Diversity.
Crossref
Crossref
Khadija Shahab Turabi, Shreeyu Bhupal, Subham Layek, Samiksha Garse, Shine Devarajan, Deepak Iyer, Soumya Basu & Jyotirmoi Aich. 2023. Phytochemistry, Computational Tools and Databases in Drug Discovery. Phytochemistry, Computational Tools and Databases in Drug Discovery
313
334
.
Tzu-Jung Yu, Ching-Yu Yen, Yuan-Bin Cheng, Chia-Hung Yen, Jiiang-Huei Jeng, Jen-Yang Tang & Hsueh-Wei Chang. (2022) Physapruin A Enhances DNA Damage and Inhibits DNA Repair to Suppress Oral Cancer Cell Proliferation. International Journal of Molecular Sciences 23:16, pages 8839.
Crossref
Crossref
Manoj G. Damale, Rajesh Patil, Siddique Akber Ansari, Hamad M. Alkahtani, Sarfaraz Ahmed, Mohammad Nur-e-Alam, Rohidas Arote & Jaiprakash Sangshetti. (2022) Insilico structure based drug design approach to find potential hits in ventilator-associated pneumonia caused by Pseudomonas aeruginosa. Computers in Biology and Medicine 146, pages 105597.
Crossref
Crossref
Adedoyin Igunnu, George Oche Ambrose & Temidayo Olamide Adigun. (2022) Mechanistic insight into the interactions between thiazolidinedione derivatives and PTP-1B combining 3D QSAR and molecular docking in the treatment of type 2 diabetes. Physical Sciences Reviews 7:6, pages 645-664.
Crossref
Crossref
Bessy Mary Philip, Jerin Susan John, Shyni V, Tintu K Kuruvilla, Tressia Alias Princy Paulose & D. Sajan. (2022) Vibrational spectra and molecular docking studies of bergapten isolated from Melicopedenhamii leaves as anti-breast cancer agents. Journal of Molecular Structure 1258, pages 132656.
Crossref
Crossref
Vikas Jha, Sakshi Devkar, Kunal Gharat, Sankalp Kasbe, Darpan Kaur Matharoo, Shalmali Pendse, Anjali Bhosale & Agraj Bhargava. (2022) Screening of Phytochemicals as Potential Inhibitors of Breast Cancer using Structure Based Multitargeted Molecular Docking Analysis. Phytomedicine Plus 2:2, pages 100227.
Crossref
Crossref
Devesh Tewari, Vikas Chander, Archana Dhyani, Sanjeev Sahu, Pawan Gupta, Pooja Patni, Lindsay S. Kalick & Anupam Bishayee. (2022) Withania somnifera (L.) Dunal: Phytochemistry, structure-activity relationship, and anticancer potential. Phytomedicine 98, pages 153949.
Crossref
Crossref
Jen-Yang Tang, Yuan-Bin Cheng, Ya-Ting Chuang, Kun-Han Yang, Fang-Rong Chang, Wangta Liu & Hsueh-Wei Chang. (2022) Oxidative Stress and AKT-Associated Angiogenesis in a Zebrafish Model and Its Potential Application for Withanolides. Cells 11:6, pages 961.
Crossref
Crossref
Vivek K. Kashyap, Godwin Peasah-Darkwah, Anupam Dhasmana, Meena Jaggi, Murali M. Yallapu & Subhash C. Chauhan. (2022) Withania somnifera: Progress towards a Pharmaceutical Agent for Immunomodulation and Cancer Therapeutics. Pharmaceutics 14:3, pages 611.
Crossref
Crossref
Farah Anjum, Md Nayab Sulaimani, Alaa Shafie, Taj Mohammad, Ghulam Md. Ashraf, Anwar L. Bilgrami, Fahad A. Alhumaydhi, Suliman A. Alsagaby, Dharmendra Kumar Yadav & Md. Imtaiyaz Hassan. (2022) Bioactive phytoconstituents as potent inhibitors of casein kinase-2: dual implications in cancer and COVID-19 therapeutics. RSC Advances 12:13, pages 7872-7882.
Crossref
Crossref
Debadash Panigrahi, Amiyakanta Mishra, Susanta Kumar Sahu, Mohd. Afzal Azam & C.M. Vyshaag. (2022) A Combined Approach of Pharmacophore Modeling, QSAR Study, Molecular Docking and In silico ADME/Tox Prediction of 4-Arylthio & 4-Aryloxy-3- Iodopyridine-2(1H)-one Analogs to Identify Potential Reverse Transcriptase Inhibitor: Anti-HIV Agents. Medicinal Chemistry 18:1, pages 51-87.
Crossref
Crossref
Kiranmayi Patnala, Mini Fernandez & RamaRao Malla. (2022) Novel and Latest Computational and Development of Anticancer Cancer. Onco Therapeutics 9:2, pages 1-11.
Crossref
Crossref
Nadire Özenver & Thomas Efferth. 2022. Evidence-Based Validation of Herbal Medicine. Evidence-Based Validation of Herbal Medicine
487
500
.
Alaa Shafie, Shama Khan, Zehra, Taj Mohammad, Farah Anjum, Gulam Mustafa Hasan, Dharmendra Kumar Yadav & Md. Imtaiyaz Hassan. (2021) Identification of Phytoconstituents as Potent Inhibitors of Casein Kinase-1 Alpha Using Virtual Screening and Molecular Dynamics Simulations. Pharmaceutics 13:12, pages 2157.
Crossref
Crossref
Senthil Renganathan, Subrata Pramanik, Rajasekaran Ekambaram, Arne Kutzner, Pok-Son Kim & Klaus Heese. (2021) Identification of a Chemotherapeutic Lead Molecule for the Potential Disruption of the FAM72A-UNG2 Interaction to Interfere with Genome Stability, Centromere Formation, and Genome Editing. Cancers 13:22, pages 5870.
Crossref
Crossref
Gaurav Raj Dwivedi, Reeta Rai, Ramendra Pratap, Khusbu Singh, Sanghamitra Pati, Satya Narayan Sahu, Rajni Kant, Mahendra P. Darokar & Dharmendra K. Yadav. (2021) Drug resistance reversal potential of multifunctional thieno[3,2-c]pyran via potentiation of antibiotics in MDR P. aeruginosa. Biomedicine & Pharmacotherapy 142, pages 112084.
Crossref
Crossref
Debadash Panigrahi. (2021)
Molecular Docking Analysis of the Phytochemicals from Tinospora
Cordifolia
as Potential Inhibitor Against Multi Targeted SARS-CoV-2 & Cytokine Storm
. Journal of Computational Biophysics and Chemistry 20:06, pages 559-580.
Crossref
Crossref
Xianwei Mo, Yuanyuan Li, Xinying Zhu, Xiaolei Li, Haiyan Zhou, Xinzhou Bi & Jing Li. (2021) Vortioxetine Derivatives with Amino Acid as Promoiety: Synthesis, Activity, Stability and Preliminary Pharmacokinetic Study. Journal of Pharmaceutical Sciences 110:8, pages 3011-3019.
Crossref
Crossref
Janine Naß, Sara Abdelfatah & Thomas Efferth. (2021) Induction of stress resistance and extension of lifespan in Chaenorhabditis elegans serotonin-receptor knockout strains by withanolide A. Phytomedicine 84, pages 153482.
Crossref
Crossref
Vidhi Malik, Vipul Kumar, Sunil C. Kaul, Renu Wadhwa & Durai Sundar. (2021) Computational Insights into the Potential of Withaferin-A, Withanone and Caffeic Acid Phenethyl Ester for Treatment of Aberrant-EGFR Driven Lung Cancers. Biomolecules 11:2, pages 160.
Crossref
Crossref
Esraa Albasher Osman, Mohammed Abdalrahman Abdalla, Mohja Omer Abdelraheem, Mubarak Fadlalla Ali, Shima Albasher Osman, Yasmin Mohamed Tanir, Mohammed Abdelrahman, Walaa Ibraheem & Abdulrahim A. Alzain. (2021) Design of novel coumarins as potent Mcl-1 inhibitors for cancer treatment guided by 3D-QSAR, molecular docking and molecular dynamics. Informatics in Medicine Unlocked 26, pages 100765.
Crossref
Crossref
Vidhi Malik, Vipul Kumar, Sunil C. Kaul, Renu Wadhwa & Durai Sundar. (2021) Potential of Withaferin-A, Withanone and Caffeic Acid Phenethyl ester as ATP-competitive inhibitors of BRAF: A bioinformatics study. Current Research in Structural Biology 3, pages 301-311.
Crossref
Crossref
Laila M. Moujir, Gabriel G. Llanos, Liliana Araujo, Angel Amesty, Isabel L. Bazzocchi & Ignacio A. Jiménez. (2020) Withanolide-Type Steroids from Withania aristata as Potential Anti-Leukemic Agents. Molecules 25:23, pages 5744.
Crossref
Crossref
Leila Emami, Zahra Faghih, Amirhossein Sakhteman, Zahra Rezaei, Zeinab Faghih, Farnaz Salehi & Soghra Khabnadideh. (2020) Design, synthesis, molecular simulation, and biological activities of novel quinazolinone-pyrimidine hybrid derivatives as dipeptidyl peptidase-4 inhibitors and anticancer agents. New Journal of Chemistry 44:45, pages 19515-19531.
Crossref
Crossref
Manasa Akella & RamaRao Malla. (2020) Molecular modeling and in vitro study on pyrocatechol as potential pharmacophore of CD151 inhibitor. Journal of Molecular Graphics and Modelling 100, pages 107681.
Crossref
Crossref
Syeda Sabiha Salam, Pankaj Chetia & Devid Kardong. (2020) In Silico Docking, ADMET and QSAR Study of few Antimalarial Phytoconstituents as Inhibitors of Plasmepsin II of P. falciparum Against Malaria. Current Drug Therapy 15:3, pages 264-273.
Crossref
Crossref
Manoj G. Damale, Shahebaaz K. Pathan, Rajesh B. Patil & Jaiprakash N. Sangshetti. (2020)
Pharmacoinformatics approaches to identify potential hits against tetraacyldisaccharide 4′-kinase (LpxK) of
Pseudomonas aeruginosa
. RSC Advances 10:54, pages 32856-32874.
Crossref
Crossref
Mohit K. Tiwari, Paolo Coghi, Prakhar Agrawal, Bharti Rajesh K. Shyamlal, Li Jun Yang, Lalit Yadav, Yuzhong Peng, Richa Sharma, Dharmendra K. Yadav, Dinkar Sahal, Vincent Kam Wai Wong & Sandeep Chaudhary. (2020) Design, Synthesis, Structure‐Activity Relationship and Docking Studies of Novel Functionalized Arylvinyl‐1,2,4‐Trioxanes as Potent Antiplasmodial as well as Anticancer Agents. ChemMedChem 15:13, pages 1216-1228.
Crossref
Crossref
Debadash Panigrahi, Amiyakanta Mishra & Susanta Kumar Sahu. (2020) Pharmacophore modelling, QSAR study, molecular docking and insilico ADME prediction of 1,2,3-triazole and pyrazolopyridones as DprE1 inhibitor antitubercular agents. SN Applied Sciences 2:5.
Crossref
Crossref
Dharmendra Kumar Yadav, Surendra Kumar, Eun-Ha Choi, Sandeep Chaudhary & Mi-Hyun Kim. (2020) Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening Study. Frontiers in Chemistry 8.
Crossref
Crossref
Mohamed Jawed Ahsan, Lakshya Bhandari, Shally Makkar, Rajan Singh, Mohd. Zaheen Hassan, Mohammed H. Geesi, Mohamed Afroz Bakht, Surender Singh Jadav, Tuniki Balaraju, Yassine Riadi, Sandhya Rani, Habibullah Khalilullah, Vasubabu Gorantla & Afzal Hussain. (2020) Synthesis, Antiproliferative, and Antioxidant Activities of Substituted N-[(1,3,4-Oxadiazol-2-yl) Methyl] Benzamines. Letters in Drug Design & Discovery 17:2, pages 145-154.
Crossref
Crossref
Manoj G. Damale, Rajesh B. Patil, Siddique Akber Ansari, Hamad M. Alkahtani, Abdulrahman A. Almehizia, Devanand B. Shinde, Rohidas Arote & Jaiprakash Sangshetti. (2019)
Molecular docking, pharmacophore based virtual screening and molecular dynamics studies towards the identification of potential leads for the management of
H. pylori
. RSC Advances 9:45, pages 26176-26208.
Crossref
Crossref
Gaurav R. Dwivedi, Anupam Maurya, Dharmendra K. Yadav, Feroz Khan, Mahendra K. Gupta, Prashant Gupta, Mahendra P. Darokar & Santosh K. Srivastava. (2019) Comparative Drug Resistance Reversal Potential of Natural Glycosides: Potential of Synergy Niaziridin & Niazirin. Current Topics in Medicinal Chemistry 19:10, pages 847-860.
Crossref
Crossref
Elham Manouchehrizadeh, Azar Mostoufi, Elham Tahanpesar & Masood Fereidoonnezhad. (2019) Alignment-independent 3D-QSAR and molecular docking studies of tacrine−4-oxo-4H-Chromene hybrids as anti-Alzheimer's agents. Computational Biology and Chemistry 80, pages 463-471.
Crossref
Crossref
Azar Mostoufi, Raheleh Baghgoli & Masood Fereidoonnezhad. (2019) Synthesis, cytotoxicity, apoptosis and molecular docking studies of novel phenylbutyrate derivatives as potential anticancer agents. Computational Biology and Chemistry 80, pages 128-137.
Crossref
Crossref
Nayra R. Perestelo, Gabriel G. Llanos, Carolina P. Reyes, Angel Amesty, Kartheek Sooda, Saeed Afshinjavid, Ignacio A. Jiménez, Farideh Javid & Isabel L. Bazzocchi. (2019) Expanding the Chemical Space of Withaferin A by Incorporating Silicon To Improve Its Clinical Potential on Human Ovarian Carcinoma Cells. Journal of Medicinal Chemistry 62:9, pages 4571-4585.
Crossref
Crossref
Strahinja Z. Kovačević, Milica Ž. Karadžić, Dajana V. Vukić, Vladimir R. Vukić, Sanja O. Podunavac-Kuzmanović, Lidija R. Jevrić & Jovana J. Ajduković. (2019) Toward steroidal anticancer drugs: Non-parametric and 3D-QSAR modeling of 17-picolyl and 17-picolinylidene androstanes with antiproliferative activity on breast adenocarcinoma cells. Journal of Molecular Graphics and Modelling 87, pages 240-249.
Crossref
Crossref
Robert Ancuceanu, Mihaela Dinu, Iana Neaga, Fekete Laszlo & Daniel Boda. (2019) Development of QSAR machine learning-based models to forecast the effect of substances on malignant melanoma cells. Oncology Letters.
Crossref
Crossref
María Jimena Martínez, Marina Razuc & Ignacio Ponzoni. (2019) MoDeSuS: A Machine Learning Tool for Selection of Molecular Descriptors in QSAR Studies Applied to Molecular Informatics. BioMed Research International 2019, pages 1-12.
Crossref
Crossref
Fernando D. Prieto-Martínez, Edgar López-López, K. Eurídice Juárez-Mercado & José L. Medina-Franco. 2019. In Silico Drug Design. In Silico Drug Design
19
44
.
Yuqi Fan, Yiwei Mao, Shijie Cao, Guiyang Xia, Qiang Zhang, Hongyang Zhang, Feng Qiu & Ning Kang. (2018) S5, a Withanolide Isolated from Physalis Pubescens L., Induces G2/M Cell Cycle Arrest via the EGFR/P38 Pathway in Human Melanoma A375 Cells. Molecules 23:12, pages 3175.
Crossref
Crossref
Vashundhra Sharma, Pradeep K. Jaiswal, Surendra Kumar, Manas Mathur, Ajit K. Swami, Dharmendra K. Yadav & Sandeep Chaudhary. (2018) Discovery of Aporphine Analogues as Potential Antiplatelet and Antioxidant Agents: Design, Synthesis, Structure-Activity Relationships, Biological Evaluations, and in silico Molecular Docking Studies. ChemMedChem 13:17, pages 1817-1832.
Crossref
Crossref
Pradeep K. Jaiswal, Vashundhra Sharma, Surendra Kumar, Manas Mathur, Ajit K. Swami, Dharmendra K. Yadav & Sandeep Chaudhary. (2018)
Non-peptide-based new class of platelet aggregation inhibitors: Design, synthesis, bioevaluation, SAR, and
in silico
studies
. Archiv der Pharmazie 351:3-4, pages 1700349.
Crossref
Crossref
Dharmendra K. Yadav, Surendra Kumar, Saloni, Sanjeev Misra, Lalit Yadav, Mahesh Teli, Praveen Sharma, Sandeep Chaudhary, Naresh Kumar, Eun Ha Choi, Hyung Sik Kim & Mi-hyun Kim. (2018) Molecular Insights into the Interaction of RONS and Thieno[3,2-c]pyran Analogs with SIRT6/COX-2: A Molecular Dynamics Study. Scientific Reports 8:1.
Crossref
Crossref
Wenchao Lu, Rukang Zhang, Hao Jiang, Huimin Zhang & Cheng Luo. (2018) Computer-Aided Drug Design in Epigenetics. Frontiers in Chemistry 6.
Crossref
Crossref