Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studies

Shovonlal Bhowmick; Rekha Dhondiram Chorge; Chaitanya Sadashiv Jangam; Lomate Dhanraj Bharatrao; Pritee Chunarkar Patil; Rupesh V. Chikhale; Md Ataul Islam

doi:10.1080/07391102.2019.1664334

Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studies

Shovonlal Bhowmick, Rekha Dhondiram Chorge, Chaitanya Sadashiv Jangam, Lomate Dhanraj Bharatrao, Pritee Chunarkar Patil, Rupesh V. Chikhale, Md Ataul Islam

School of Pharmacy

Research output: Contribution to journal › Comment/debate › peer-review

3 Citations (Scopus)

Abstract

Communicated by Ramaswamy H. Sarma.

Original language	English
Pages (from-to)	4005-4015
Number of pages	11
Journal	Journal of Biomolecular Structure and Dynamics
Volume	38
Issue number	13
Early online date	13 Sep 2019
DOIs	https://doi.org/10.1080/07391102.2019.1664334
Publication status	Published - 1 Sep 2020

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10.1080/07391102.2019.1664334

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Bhowmick, Shovonlal ; Chorge, Rekha Dhondiram ; Jangam, Chaitanya Sadashiv ; Bharatrao, Lomate Dhanraj ; Patil, Pritee Chunarkar ; Chikhale, Rupesh V. ; Islam, Md Ataul. / Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studies. In: Journal of Biomolecular Structure and Dynamics. 2020 ; Vol. 38, No. 13. pp. 4005-4015.

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author = "Shovonlal Bhowmick and Chorge, {Rekha Dhondiram} and Jangam, {Chaitanya Sadashiv} and Bharatrao, {Lomate Dhanraj} and Patil, {Pritee Chunarkar} and Chikhale, {Rupesh V.} and Islam, {Md Ataul}",

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Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studies. / Bhowmick, Shovonlal; Chorge, Rekha Dhondiram; Jangam, Chaitanya Sadashiv; Bharatrao, Lomate Dhanraj; Patil, Pritee Chunarkar; Chikhale, Rupesh V.; Islam, Md Ataul.

In: Journal of Biomolecular Structure and Dynamics, Vol. 38, No. 13, 01.09.2020, p. 4005-4015.

Research output: Contribution to journal › Comment/debate › peer-review

TY - JOUR

T1 - Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studies

AU - Bhowmick, Shovonlal

AU - Chorge, Rekha Dhondiram

AU - Jangam, Chaitanya Sadashiv

AU - Bharatrao, Lomate Dhanraj

AU - Patil, Pritee Chunarkar

AU - Chikhale, Rupesh V.

AU - Islam, Md Ataul

PY - 2020/9/1

Y1 - 2020/9/1

N2 - Communicated by Ramaswamy H. Sarma.

AB - Communicated by Ramaswamy H. Sarma.

UR - http://www.scopus.com/inward/record.url?scp=85073782276&partnerID=8YFLogxK

U2 - 10.1080/07391102.2019.1664334

DO - 10.1080/07391102.2019.1664334

M3 - Comment/debate

C2 - 31516071

VL - 38

SP - 4005

EP - 4015

JO - Journal of Biomolecular Structure and Dynamics

JF - Journal of Biomolecular Structure and Dynamics

SN - 0739-1102

IS - 13

ER -

Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studies

Abstract

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