Search Results - "Reddy, A. Srinivas"

Effect of membrane tension on the physical properties of DOPC lipid bilayer membrane by Reddy, A. Srinivas, Warshaviak, Dora Toledo, Chachisvilis, Mirianas

“…Molecular dynamics simulations of a dioleoylphosphocholine (DOPC) lipid bilayer were performed to explore its mechanosensitivity. Variations in the bilayer…”
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Virtual screening in drug discovery -- a computational perspective by Reddy, A Srinivas, Pati, S Priyadarshini, Kumar, P Praveen, Pradeep, H N, Sastry, G Narahari

“…Virtual screening emerged as an important tool in our quest to access novel drug like compounds. There are a wide range of comparable and contrasting…”
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Hybrid-genetic algorithm based descriptor optimization and QSAR models for predicting the biological activity of Tipranavir analogs for HIV protease inhibition by Reddy, A. Srinivas, Kumar, Sunil, Garg, Rajni

“…The prediction of biological activity of a chemical compound from its structural features plays an important role in drug design. In this paper, we discuss the…”
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Reaction of allene esters with Selectfluor/TMSX (X = I, Br, Cl) and Selectfluor/NH4SCN: Competing oxidative/electrophilic dihalogenation and nucleophilic/conjugate addition by Reddy, A Srinivas, Laali, Kenneth K

“…Reaction of benzyl and ethyl allenoates with TMSX (X = I, Br, Cl) and with NH4SCN were investigated in MeCN, DMF, and in imidazolium ionic liquids [BMIM][NTf2]…”
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Polypharmacology: drug discovery for the future by Reddy, A Srinivas, Zhang, Shuxing

“…In recent years, even with remarkable scientific advancements and a significant increase of global research and development spending, drugs are frequently…”
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Towards design of the smallest planar tetracoordinate carbon and boron systems by Sateesh, B., Srinivas Reddy, A., Narahari Sastry, G.

“…A series of cyclic hydrocarbons analogs where a carbon displays unusual planar tetracoordinate structure is proposed, employing hybrid density functional…”
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Cation-aromatic database by Reddy, A. Srinivas, Sastry, G. Madhavi, Sastry, G. Narahari

“…Cation–aromatic database (CAD) is a publicly available web‐based database that aims to provide further understanding of interaction between a cation and the π…”
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First stereoselective total synthesis of decytospolides A and B by Janardhan Reddy, P., Srinivas Reddy, A., Yadav, J.S., Subba Reddy, B.V.

“…The first stereoselective total synthesis of decytospolides A and B has been accomplished starting from n-hexanal. The key steps involved in this synthesis are…”
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Total synthesis of 7-desmethoxyfusarentin and its methyl ether by Janardhan Reddy, P., Srinivas Reddy, A., Yadav, J.S., Subba Reddy, B.V.

“…A concise total synthesis of 7-desmethoxyfusarentin and its methyl ether has been accomplished involving a sequence of reactions such as Prins cyclization,…”
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A Practical Total Synthesis of (+)-Spirolaxine Methyl Ether by Yadav, J. S, Sreenivas, M, Srinivas Reddy, A, Subba Reddy, B. V

“…An efficient and practical total synthesis of (+)-spirolaxine methyl ether is described. The phthalide-aldehyde 3 has been prepared via the Diels−Alder…”
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The Network of Receptors Characterize B Cell Receptor Micro- and Macroclustering in a Monte Carlo Model by Reddy, A. Srinivas, Chilukuri, Sandeep, Raychaudhuri, Subhadip

“…During the recognition of soluble antigens, B cell receptors (BCR) are known to form signaling clusters that can crucially modulate intracellular activation…”
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Computational Analysis of HIV-1 Protease Protein Binding Pockets by Ko, Gene M, Reddy, A. Srinivas, Kumar, Sunil, Bailey, Barbara A, Garg, Rajni

“…Mutations that arise in HIV-1 protease after exposure to various HIV-1 protease inhibitors have proved to be a difficult aspect in the treatment of HIV…”
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Regioselective ortho-acetoxylation/methoxylation of N-(2-benzoylphenyl)benzamides via substrate directed C–H activation by Reddy, B.V. Subba, Revathi, G., Reddy, A. Srinivas, Yadav, J.S.

“…A highly regioselective ortho-acetoxylation of N-(2-benzoylphenyl)benzamides has been achieved using a catalytic amount of Pd(OAc) 2 (10 mol %) and a…”
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The stereoselective total synthesis of (−)-dihydrotetrabenazine by Siva Senkar Reddy, N., Srinivas Reddy, A., Yadav, J.S., Subba Reddy, B.V.

“…A highly stereoselective synthesis of (−)-dihydrotetrabenazine has been accomplished using (R)-tert-butanesulfinamide as a chiral source. The synthesis…”
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Viscoelastic Properties and Shock Response of Coarse-Grained Models of Multiblock versus Diblock Copolymers: Insights into Dissipative Properties of Polyurea by Arman, Bedri, Reddy, A. Srinivas, Arya, Gaurav

“…We compare and contrast the microstructure, viscoelastic properties, and shock response of coarse-grained models of multiblock copolymer and diblock copolymers…”
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Sonogashira cross-coupling in a designer ionic liquid (IL) without copper, external base, or additive, and with recycling and reuse of the IL by Srinivas Reddy, A., Laali, Kenneth K.

“…[Display omitted] Application of a piperidine-appended dimethyl-imidazolium-NTf2 ionic liquid as dual solvent and base in the Sonogashira cross-coupling…”
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Computational modeling methods for QSAR studies on HIV-1 integrase inhibitors (2005-2010) by Ko, Gene M, Reddy, A Srinivas, Garg, Rajni, Kumar, Sunil, Hadaegh, Ahmad R

“…The human immunodeficiency virus type 1 (HIV-1) integrase is an emerging target for novel antiviral drugs. Quantitative structure-activity relationship (QSAR)…”
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Monte Carlo study of B-cell receptor clustering mediated by antigen crosslinking and directed transport by Srinivas Reddy, A, Tsourkas, Philippos K, Raychaudhuri, Subhadip

“…It is known from experiments that in the presence of soluble antigen, B-cell receptors (BCRs) assemble into microclusters and then collect into a macrocluster…”
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Density Functional Theory Study on the Effect of Substitution and Ring Annelation to the Rim of Corannulene by Dinadayalane, T. C, Deepa, S, Reddy, A. Srinivas, Sastry, G. Narahari

“…B3LYP/6-311G** calculations indicate that annelation of a five-membered ring to the rim of corannulene and substitution to all the rim carbons lowers the…”
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Cation [M = H+, Li+, Na+, K+, Ca2+, Mg2+, NH4 +, and NMe4 +] Interactions with the Aromatic Motifs of Naturally Occurring Amino Acids:  A Theoretical Study by Reddy, A. Srinivas, Sastry, G. Narahari

“…Ab initio (HF, MP2, and CCSD(T)) and DFT (B3LYP) calculations were done in modeling the cation (H+, Li+, Na+, K+, Ca2+, Mg2+, NH4 +, and NMe4 +) interaction…”
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