Multiple machine learning, molecular docking, and ADMET screening approach for identification of selective inhibitors of CYP1B1 B Raju, H Verma, G Narendra, B Sapra, O Silakari Journal of Biomolecular Structure and Dynamics 40 (17), 7975-7990, 2022 | 18 | 2022 |
Role of genetic polymorphisms in drug-metabolizing enzyme-mediated toxicity and pharmacokinetic resistance to anti-cancer agents: a review on the pharmacogenomics aspect G Narendra, S Choudhary, B Raju, H Verma, O Silakari Clinical Pharmacokinetics 61 (11), 1495-1517, 2022 | 15 | 2022 |
Dihydropyrimidine dehydrogenase-mediated resistance to 5-fluorouracil: Mechanistic investigation and solution H Verma, G Narendra, B Raju, PK Singh, O Silakari ACS Pharmacology & Translational Science 5 (11), 1017-1033, 2022 | 13 | 2022 |
Molecular modeling approaches to address drug-metabolizing enzymes (DMEs) mediated chemoresistance: a review B Raju, S Choudhary, G Narendra, H Verma, O Silakari Drug Metabolism Reviews 53 (1), 45-75, 2021 | 13 | 2021 |
Multiple machine learning models combined with virtual screening and molecular docking to identify selective human ALDH1A1 inhibitors G Narendra, B Raju, H Verma, B Sapra, O Silakari Journal of Molecular Graphics and Modelling 107, 107950, 2021 | 12 | 2021 |
3D‐QSAR and scaffold hopping based designing of benzo[d]ox‐azol‐2(3H)‐one and 2‐oxazolo[4,5‐b]pyridin‐2(3H)‐one derivatives as selective aldehyde … H Verma, G Narendra, B Raju, M Kumar, SK Jain, GK Tung, PK Singh, ... Archiv der Pharmazie 355 (9), 2200108, 2022 | 11 | 2022 |
Identification of potential genes associated with ALDH1A1 overexpression and cyclophosphamide resistance in chronic myelogenous leukemia using network analysis Gera Narendra, Baddipadige Raju, Himanshu Verma, Om Silakari Medical Oncology 38 (123), 1-10, 2021 | 9 | 2021 |
QM/MM studies on enzyme catalysis and insight into designing of new inhibitors by ONIOM approach: recent update H Sharma, B Raju, G Narendra, M Motiwale, B Sharma, H Verma, ... ChemistrySelect 8 (1), e202203319, 2023 | 6 | 2023 |
Machine learning enabled structure-based drug repurposing approach to identify potential CYP1B1 inhibitors B Raju, G Narendra, H Verma, M Kumar, B Sapra, G Kaur, SK Jain, ... ACS omega 7 (36), 31999-32013, 2022 | 5 | 2022 |
3D-QSAR assisted identification of selective CYP1B1 inhibitors: An effective bioisosteric replacement/molecular docking/electrostatic complementarity analysis B Raju, B Sapra, O Silakari Molecular Diversity 27 (6), 2673-2693, 2023 | 4 | 2023 |
Identification of chemoresistance associated key genes-miRNAs-TFs in docetaxel resistant breast cancer by bioinformatics analysis B Raju, G Narendra, H Verma, O Silakari 3 Biotech 14 (5), 128, 2024 | 3 | 2024 |
Classification of Potent and Weak Penetration Enhancers Using Multiple Feature Selection Methods and Machine Learning Models Baddipadige Raju, Neha Verma, Gera Narendra, Om Silakari1, Bharti Sapra Journal of Pharmaceutical Innovation, 2023 | 3 | 2023 |
Raloxifene and bazedoxifene as selective ALDH1A1 inhibitors to ameliorate cyclophosphamide resistance: A drug repurposing approach G Narendra, B Raju, H Verma, M Kumar, SK Jain, GK Tung, S Thakur, ... International Journal of Biological Macromolecules 242, 124749, 2023 | 3 | 2023 |
In silico guided designing of optimized benzochalcones derivatives as potent CYP1B1 inhibitors: An integrated in vitro and ONIOM study H Sharma, B Raju, G Narendra, M Kumar, H Verma, B Sharma, GK Tung, ... Journal of Molecular Graphics and Modelling 119, 108390, 2023 | 3 | 2023 |
Identification of potential benzoxazolinones as CYP1B1 inhibitors via molecular docking, dynamics, waterswap, and in vitro analysis B Raju, H Verma, G Narendra, G Kaur, SK Jain, O Silakari New Journal of Chemistry 47 (26), 12339-12349, 2023 | 3 | 2023 |
Bioactive molecules isolated from Cymbopogon flexuosus and Monarda citriodora essential oils: Chemical profiling, antimycotic potential, and molecular docking studies against … Rashmi, Ritu Tandon, Anu Kalia, Baddipadige Raju, Om Silakari Journal of Essential Oil Bearing Plants 27 (4), 2024 | 2 | 2024 |
Scaffold hopping for designing of potent and selective CYP1B1 inhibitors to overcome docetaxel resistance: synthesis and evaluation B Raju, G Narendra, H Verma, M Kumar, B Sapra, G Kaur, SK Jain, ... Journal of Biomolecular Structure and Dynamics, 1-19, 2024 | 2 | 2024 |
Evaluation of Cordyceps militaris steroids as antiinflammatory agents to combat the Covid-19 cytokine storm: a bioinformatics and structurebased drug designing approach Manmeet Singh, Himanshu Verma, Narendra Gera, Raju Baddipadige, Shalki ... Journal of Biomolecular Structure and Dynamics, 2023 | 2* | 2023 |
Identification of natural peptides from “PlantPepDB” database as anti-SARS-CoV-2 agents: A protein-protein docking approach P Bhandu, H Verma, B Raju, G Narendra, S Choudhary, M Singh, ... Phytomedicine Plus 3 (2), 100446, 2023 | 2 | 2023 |
Identification of kinase inhibitors that rule out the CYP27B1-mediated activation of vitamin D: an integrated machine learning and structure-based drug designing approach K Mahajan, H Verma, S Choudhary, B Raju, O Silakari Molecular Diversity 25, 1617-1641, 2021 | 2 | 2021 |