Molecular modeling studies of phenoxypyrimidinyl imidazoles as p38 kinase inhibitors using QSAR and docking☆
G.K. Ravindra , G. Achaiah , G.N. Sastry
European Journal of Medicinal Chemistry 43 ( 4) 830 -838
28
2008
Triply bridged (1,3,5) cyclophanes from cystine and lanthionine linkers—a comparison
S. Ranganathan , P. Venkateshwarlu , S.M. Babu , N.S. Reddy
Tetrahedron 66 ( 22) 3923 -3929
5
2010
CoMFA, CoMSIA, kNN MFA and docking studies of 1,2,4-oxadiazole derivatives as potent caspase-3 activators
Ankur Vaidya , Abhishek Kumar Jain , B.R. Prashantha Kumar , G.N. Sastry
Arabian Journal of Chemistry 10
9
2017
Computational platform Way2Drug: from the prediction of biological activity to drug repurposing
D.S. Druzhilovskiy , A.V. Rudik , D.A. Filimonov , T.A. Gloriozova
Russian Chemical Bulletin 66 ( 10) 1832 -1841
15
2017
2D and 3D quantitative structure-activity relationship studies on a series of bis- pyridinium compounds as choline kinase inhibitors
S. Janardhan , P. Srivani , G. Narahari Sastry
Qsar & Combinatorial Science 25 ( 10) 860 -872
31
2006
Cyclotriphosphazene Ring as a Platform for Multiporphyrin Assemblies
M. Rajeswara Rao , G. Gayatri , Amit Kumar , G. Narahari Sastry
Chemistry: A European Journal 15 ( 14) 3488 -3496
45
2009
Study of Diversity and Similarity of Large Chemical Databases Using Tanimoto Measure
Sankara Rao A. , Durga Bhavani S. , Sobha Rani T. , Raju S. Bapi
international conference information processing 40 -50
2
2011
Structural and Functional Diversities of the Hexadecahydro-1H-cyclopenta[a]phenanthrene Framework, a Ubiquitous Scaffold in Steroidal Hormones.
Chinmayee Choudhury , U. Deva Priyakumar , G. Narahari Sastry
Molecular Informatics 35 145 -157
7
2016
Diphenic acid as a general conformational lock in the design of bihelical structures.
Isabella L. Karle , Punna Venkateshwarlu , Ramakrishnan Nagaraj , Akella V. S. Sarma
Chemistry: A European Journal 13 ( 15) 4253 -4263
12
2007
Virtual screening in drug discovery -- a computational perspective
A. Srinivas Reddy , S. Priyadarshini Pati , P. Praveen Kumar , H.N. Pradeep
Current Protein & Peptide Science 8 ( 4) 329 -351
389
2007
Dynamic ligand-based pharmacophore modeling and virtual screening to identify mycobacterial cyclopropane synthase inhibitors
CHINMAYEE CHOUDHURY , U DEVA PRIYAKUMAR , G NARAHARI SASTRY
Journal of Chemical Sciences 128 ( 5) 719 -732
8
2016
Anomalous Lithium Adsorption Propensity of Monolayer Carbonaceous Materials: A Density Functional Study
SWATI PANIGRAHI , DEIVASIGAMANI UMADEVI , G NARAHARI SASTRY
Journal of Chemical Sciences 128 ( 10) 1641 -1649
2016
Hydrogen bonded networks in formamide [HCONH2]n (n = 1 − 10) clusters: A computational exploration of preferred aggregation patterns#
A SUBHA MAHADEVI , Y INDRA NEELA , G NARAHARI SASTRY
Journal of Chemical Sciences 124 ( 1) 35 -42
16
2012
The trans opening of ethylene diamine tetra acetic acid bis anhydride (EDTAA) with cystine-di-OMe: one-step synthesis of bihelical systems
REDDY NAINI SANTHOSH , SUBRAMANIA RANGANATHAN , JHILLU SINGH YADAV , AVS SARMA
2014
Structure and stability of the sH binary hydrate cavity and host‐guest versus guest‐guest interactions therein: A DFT approach
Sukanta Mondal , Gourhari Jana , Hemant K Srivastava , Garikapati N Sastry
Journal of Computational Chemistry 44 1446 -1453
1
2023
Active site acidic residues and structural analysis of modelled human aromatase: A potential drug target for breast cancer
J Narashima Murthy , M Nagaraju , G Madhavi Sastry , A Raghuram Rao
Journal of computer-aided molecular design 19 857 -870
21
2005
WAY2DRUG PLATFORM LIGAND-BASED APPROACH TO DRUG REPURPOSING
Dmitry S Druzhilovskiy , Anastasia V Rudik , Dmitry A Filimonov , Narahari S Garikapati
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256
2018
Quantum Chemistry of Bonding and Interactions
P Kolandaivel , P Venuvanalingam , G Narahari-Sastry
C. Pratim, Chemical Reactivity Theory. A density Functional View 23 -37
1
2009
KAMAL A.*, KHAN MNA, REDDY KS, ROHINI K.
GN SASTRY , B SATEESH , B SRIDHAR
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS 17 ( 19) 5400 -5405
2007
Hard-soft acid-base (HSAB) principle and difference in d -orbital configurations of metals explain the regioselectivity of nucleophilic attack to a carbinol in Friedel-Crafts reaction catalyzed by Lewis and protonic acids
Shagufta , G. Narahari Sastry , Gautam Panda , Jitendra K. Mishra
Indian Journal of Chemistry Section B-organic Chemistry Including Medicinal Chemistry 45 ( 1) 276 -287
2
2006
U. Deva Priyakumar Tandabany Dinadayalane Subha Mahadevi Alladi Dolly Vijay Dr. Umadevi Deivasigamani Vladimir Poroikov Hemant Kumar Srivastava Soujanya Yarasi Tirapattur Dr Gaddamanugu Gayatri Dr. Devesh Kumar Mukesh Chourasia (PhD) Dr. Purushotham Uppula Ph.D., FICS Thomas Bally Sason Shaik Sam de Visser Prabhakar Sripadi BANDARU SATEESH Lagunin Alexey Dr. Chinmayee Choudhury Soumen Saha