Citations (17)
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S. M. Esther Rubavathy, Kandhan Palanisamy, S. Priyankha, Ramasamy Thilagavathi, Muthuramalingam Prakash & Chelliah Selvam. (2023) Discovery of novel HDAC8 inhibitors from natural compounds by in silico high throughput screening. Journal of Biomolecular Structure and Dynamics 41:19, pages 9492-9502.
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Razique Anwer, Khalid I. AlQumaizi, Shafiul Haque, Pallavi Somvanshi, Nazia Ahmad, Saleh M. AlOsaimi & Tasneem Fatma. (2021) Unravelling the interaction of glipizide with human serum albumin using various spectroscopic techniques and molecular dynamics studies. Journal of Biomolecular Structure and Dynamics 39:1, pages 336-347.
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Varun Dewaker, Pratik Narain Srivastava, Saroj Verma & Yenamandra S. Prabhakar. (2020) Molecular dynamics study of HDAC8-largazole analogues co-crystals for designing potential anticancer compounds. Journal of Biomolecular Structure and Dynamics 38:4, pages 1197-1213.
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Sk. Abdul Amin, Nilanjan Adhikari, Tarun Jha & Balaram Ghosh. (2019) Designing potential HDAC3 inhibitors to improve memory and learning. Journal of Biomolecular Structure and Dynamics 37:8, pages 2133-2142.
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U. Norinder, J.J. Naveja, E. López-López, D. Mucs & J.L. Medina-Franco. (2019) Conformal prediction of HDAC inhibitors. SAR and QSAR in Environmental Research 30:4, pages 265-277.
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Hao Zhou, Chengzhang Wang, Tao Deng, Ran Tao & Wenjun Li. (2018) Novel urushiol derivatives as HDAC8 inhibitors: rational design, virtual screening, molecular docking and molecular dynamics studies. Journal of Biomolecular Structure and Dynamics 36:8, pages 1966-1978.
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Neeraj Kumar, Shashank Shekhar Mishra, Chandra Shekhar Sharma, Hamendra Pratap Singh & Sourav Kalra. (2018)
In silico binding mechanism prediction of benzimidazole based corticotropin releasing factor-1 receptor antagonists by quantitative structure activity relationship, molecular docking and pharmacokinetic parameters calculation. Journal of Biomolecular Structure and Dynamics 36:7, pages 1691-1712.
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Articles from other publishers (10)
Nabeela Farhat, Divya Gupta, Abid Ali, Yogesh Kumar, Farheen Akhtar, Senthilguru Kulanthaivel, Prashant Mishra, Feroz Khan & Asad U. Khan. (2022) Broad-Spectrum Inhibitors against Class A, B, and C Type β-Lactamases to Block the Hydrolysis against Antibiotics: Kinetics and Structural Characterization. Microbiology Spectrum 10:5.
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Mohd Qamar, Sultanat, Shafiullah, Asad U. Khan, Abid Ali & Nabeela Farhat. (2022) One pot facile synthesis of flavanoidal oxadiazinanones: In vitro antibacterial activity, docking and MD simulation using DNA gyrase. Journal of Molecular Structure 1251, pages 131944.
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Nabeela Farhat & Asad U. Khan. (2021) Repurposing drug molecule against SARS-Cov-2 (COVID-19) through molecular docking and dynamics: a quick approach to pick FDA-approved drugs. Journal of Molecular Modeling 27:11.
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Valeria V. Kleandrova & Alejandro Speck-Planche. (2020) The QSAR Paradigm in Fragment-Based Drug Discovery: From the Virtual Generation of Target Inhibitors to Multi-Scale Modeling. Mini-Reviews in Medicinal Chemistry 20:14, pages 1357-1374.
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Divya Gupta, Aditi Singh, Pallavi Somvanshi, Ajeet Singh & Asad U. Khan. (2020) Structure-Based Screening of Non-β-Lactam Inhibitors against Class D β-Lactamases: An Approach of Docking and Molecular Dynamics. ACS Omega 5:16, pages 9356-9365.
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Aditi Singh, Pallavi Somvanshi & Abhinav Grover. (2018)
Pyrazinamide drug resistance in RpsA mutant (∆438A) of
Mycobacterium tuberculosis
: Dynamics of essential motions and free‐energy landscape analysis
. Journal of Cellular Biochemistry 120:5, pages 7386-7402.
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Sharad Verma, Aditi Singh, Anchala Kumari, Bharati Pandey, Salma Jamal, Sukriti Goyal, Siddharth Sinha & Abhinav Grover. (2018) Insight into the inhibitor discrimination by FLT3 F691L. Chemical Biology & Drug Design 91:5, pages 1056-1064.
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Mansi Aggarwal, Aditi Singh, Sonam Grover, Bharati Pandey, Anchala Kumari & Abhinav Grover. (2017)
Role of
pnc
A gene mutations W68R and W68G in pyrazinamide resistance
. Journal of Cellular Biochemistry 119:3, pages 2567-2578.
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Siddharth Sinha, Sharad Verma, Aditi Singh, Pallavi Somvanshi & Abhinav Grover. (2017) Simulation Based Investigation of Deleterious nsSNPs in ATXN2 Gene and Its Structural Consequence Toward Spinocerebellar Ataxia. Journal of Cellular Biochemistry 119:1, pages 499-510.
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Siddharth Sinha, Sukriti Goyal, Pallavi Somvanshi & Abhinav Grover. (2017) Mechanistic Insights into the Binding of Class IIa HDAC Inhibitors toward Spinocerebellar Ataxia Type-2: A 3D-QSAR and Pharmacophore Modeling Approach. Frontiers in Neuroscience 10.
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