K
Kanipakam Hema
Researcher at International Centre for Genetic Engineering and Biotechnology
Publications - 6
Citations - 58
Kanipakam Hema is an academic researcher from International Centre for Genetic Engineering and Biotechnology. The author has contributed to research in topics: Docking (molecular) & Drug repositioning. The author has an hindex of 2, co-authored 6 publications receiving 16 citations.
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Journal ArticleDOI
Unravelling high-affinity binding compounds towards transmembrane protease serine 2 enzyme in treating SARS-CoV-2 infection using molecular modelling and docking studies.
TL;DR: The study unravelled eight high affinity binding compounds, which may serve as potent antagonists against TMPRSS2 to impact COVID-19 drug therapy.
Journal ArticleDOI
Structural stability predictions and molecular dynamics simulations of RBD and HR1 mutations associated with SARS-CoV-2 spike glycoprotein.
TL;DR: Sarma et al. as mentioned in this paper studied the impact of mutations such as A348T, N354D, D364Y, G476S, V483A, S494D in the Receptor Binding Domain (RBD) and Heptad Repeat (HR) domains of spike glycoprotein.
Journal ArticleDOI
Atomic Resolution Homology Models and Molecular Dynamics Simulations of Plasmodium falciparum Tubulins.
TL;DR: In this paper, the authors constructed reliable and high-quality 3D models of α-, β-, and γ-tubulins using various modeling techniques and identified a common binding pocket specific to Plasmodium α-,β-, and α-tubulin.
Journal ArticleDOI
The structural, functional, and dynamic effect of Tau tubulin kinase1 upon a mutation: A neuro-degenerative hotspot.
TL;DR: In this article, the authors highlighted the destabilizing, damaging and deleterious effect of the mutation R142Q on TTBK1 structure through computational predictions and molecular dynamics simulations.
Book ChapterDOI
Molecular docking and dynamics simulations of novel drug targets
Jangampalli Adi Pradeepkiran,Jangampalli Adi Pradeepkiran,Manne Munikumar,Kanipakam Hema,Pradeep Natarajan,S.B. Sainath +5 more
TL;DR: To accomplish this task, the modeled proteins from B. militensis 16M were subjected to zinc database to screen the potential drug compounds followed by molecular docking analysis using PyRx containing an inbuilt program docking program, Autodock Vina.