5 Works

Computational study of novel inhibitory molecule, 1-(4-((2S,3S)-3-amino-2-hydroxy-4-phenylbutyl)piperazin-1-yl)-3-phenylurea, with high potential to competitively block ATP binding to the RNA dependent RNA polymerase of SARS-CoV-2 virus

Prem Prakash Sharma, Sumit Kumar, Sukrit Srivastava, Mitul Srivastava, Babban Jee, Nikolay Yu. Gorobets, Dhruv Kumar, Mukesh Kumar, Shailendra Asthana, Peng Zhang, Poonam, Martin Zoltner & Brijesh Rathi
For coronaviruses, RNA-dependent RNA polymerase (RdRp) is an essential enzyme that catalyses the replication from RNA template and therefore remains an attractive therapeutic target for anti-COVID drug discovery. In the present study, we performed a comprehensive in silico screening for 16,776 potential molecules from recently established drug libraries based on two important pharmacophores (3-amino-4-phenylbutan-2-ol and piperazine). Based on initial assessment, 4042 molecules were obtained suitable as drug candidates, which were following Lipinski’s rule. Molecular docking...

Axial compression behavior of thin-walled mild steel tubes subjected to axial impact

S.K. Tak & M.A. Iqbal
The finite element computations were performed on ABAQUS/Explicit solver to study the effect of wall thickness on axial crushing and energy absorption of the mild steel tubes under axial impact. Circular tube (60 mm diameter) and square tube (47.34 mm size) with varying wall thicknesses (1.1, 1.5, 2, 2.5, and 3 mm) were impacted axially by 5 kg projectile. A comparative study has also been carried out on axial compression behavior of tubes with circular...

Computational study of novel inhibitory molecule, 1-(4-((2S,3S)-3-amino-2-hydroxy-4-phenylbutyl)piperazin-1-yl)-3-phenylurea, with high potential to competitively block ATP binding to the RNA dependent RNA polymerase of SARS-CoV-2 virus

Prem Prakash Sharma, Sumit Kumar, Sukrit Srivastava, Mitul Srivastava, Babban Jee, Nikolay Yu. Gorobets, Dhruv Kumar, Mukesh Kumar, Shailendra Asthana, Peng Zhang, Poonam, Martin Zoltner & Brijesh Rathi
For coronaviruses, RNA-dependent RNA polymerase (RdRp) is an essential enzyme that catalyses the replication from RNA template and therefore remains an attractive therapeutic target for anti-COVID drug discovery. In the present study, we performed a comprehensive in silico screening for 16,776 potential molecules from recently established drug libraries based on two important pharmacophores (3-amino-4-phenylbutan-2-ol and piperazine). Based on initial assessment, 4042 molecules were obtained suitable as drug candidates, which were following Lipinski’s rule. Molecular docking...

BALLISTIC RESISTANCE OF CERAMIC METALLIC TARGET FOR VARYING LAYER THICKNESSES

M.K. Khan, M.A. Iqbal, V.A. Bratov, N.F. Morozov & N.K. Gupta
The ballistic behaviour of a bi-layer ceramic-metal target against steel projectile with varying layer thicknesses has been investigated using a three-dimensional finite element model. The bi-layer target was made of alumina 99.5 % ceramic front layer and aluminium 2024-T3 metallic back layer with an areal dimension of 100×100 mm and the thickness of both layers were varied, with the total thickness of the composite being kept as 10 mm and 20 mm. A steel 4340...

Ballistic response and induced damage of plain and reinforced concrete plates

Kamran Kamran & M.A. Iqbal
The present study shows the comparison of ballistic response and induced damages of plain and reinforced concrete plates subjected to the normal impact of ogive-nosed steel projectiles. The evaluation of damage has been described by the presence of cracking and measuring the size of the crater in terms of equivalent diameter, formed at front and rear concrete surfaces. The ballistic limits of plain and reinforced concrete have been obtained through the varied projectile velocities. The...

Registration Year

  • 2021
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Resource Types

  • Text
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Affiliations

  • Indian Institute of Technology Roorkee
    5
  • Indian Institute of Technology Delhi
    3
  • China Astronaut Research and Training Center
    2
  • Sun Yat-sen University
    2
  • Huazhong University of Science and Technology
    2
  • Shandong Tumor Hospital
    2
  • Indian Agricultural Research Institute
    2
  • Beijing Normal University
    2
  • Charles University
    2
  • All India Institute of Medical Sciences
    2