Lead hopping for PfDHODH inhibitors as antimalarials based on pharmacophore mapping, molecular docking and comparative binding energy analysis (COMBINE): A three-layered virtual screening approach

Probir Kumar Ojha; Indrani Mitra; Supratik Kar; Rudra Narayan Das; Kunal Roy

doi:10.1002/minf.201200045

Lead hopping for PfDHODH inhibitors as antimalarials based on pharmacophore mapping, molecular docking and comparative binding energy analysis (COMBINE): A three-layered virtual screening approach

Probir Kumar Ojha
, Indrani Mitra
, Supratik Kar
, Rudra Narayan Das
, Kunal Roy

Chemistry

Jadavpur University

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Original language	English
Pages (from-to)	711-718
Number of pages	8
Journal	Molecular Informatics
Volume	31
Issue number	10
DOIs	https://doi.org/10.1002/minf.201200045
State	Published - Oct 2012

Keywords

COMBINE
Docking
PfDHODH
Pharmacophore
QSAR
Virtual screening

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10.1002/minf.201200045

Cite this

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title = "Lead hopping for PfDHODH inhibitors as antimalarials based on pharmacophore mapping, molecular docking and comparative binding energy analysis (COMBINE): A three-layered virtual screening approach",

keywords = "COMBINE, Docking, PfDHODH, Pharmacophore, QSAR, Virtual screening",

author = "\{Kumar Ojha\}, Probir and Indrani Mitra and Supratik Kar and \{Narayan Das\}, Rudra and Kunal Roy",

year = "2012",

month = oct,

doi = "10.1002/minf.201200045",

language = "English",

volume = "31",

pages = "711--718",

journal = "Molecular Informatics",

issn = "1868-1743",

publisher = "John Wiley and Sons Inc",

number = "10",

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Lead hopping for PfDHODH inhibitors as antimalarials based on pharmacophore mapping, molecular docking and comparative binding energy analysis (COMBINE): A three-layered virtual screening approach. / Kumar Ojha, Probir; Mitra, Indrani; Kar, Supratik et al.
In: Molecular Informatics, Vol. 31, No. 10, 10.2012, p. 711-718.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Lead hopping for PfDHODH inhibitors as antimalarials based on pharmacophore mapping, molecular docking and comparative binding energy analysis (COMBINE)

T2 - A three-layered virtual screening approach

AU - Kumar Ojha, Probir

AU - Mitra, Indrani

AU - Kar, Supratik

AU - Narayan Das, Rudra

AU - Roy, Kunal

PY - 2012/10

Y1 - 2012/10

KW - COMBINE

KW - Docking

KW - PfDHODH

KW - Pharmacophore

KW - QSAR

KW - Virtual screening

UR - https://www.scopus.com/pages/publications/84867487321

U2 - 10.1002/minf.201200045

DO - 10.1002/minf.201200045

M3 - Article

AN - SCOPUS:84867487321

SN - 1868-1743

VL - 31

SP - 711

EP - 718

JO - Molecular Informatics

JF - Molecular Informatics

IS - 10

ER -

Lead hopping for PfDHODH inhibitors as antimalarials based on pharmacophore mapping, molecular docking and comparative binding energy analysis (COMBINE): A three-layered virtual screening approach

Keywords

Access to Document

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